WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C₁₀H₈O₂
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-536.324860242 Hartree
Dipole Moment	2.9488 Debye
Server	batch (114164)
CPU time	245 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	2.8063254	0.09360893929
b	0.5725685	0.01909882936
c	0.4769447	0.01590916273

Partial Charges

Atom	Symbol	Charge
1	C	-0.531461
2	C	0.387836
3	C	0.278711
4	C	-0.215682
5	C	0.116066
6	C	-0.197787
7	C	-0.136352
8	C	-0.142346
9	C	-0.184548
10	C	0.331764
11	O	-0.527412
12	H	0.149241
13	H	0.138411
14	H	0.135285
15	H	0.142272
16	H	0.173597
17	O	-0.452886
18	H	0.179017
19	H	0.178137
20	H	0.178137

Molecular Orbitals

Display Range		- / 196
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.22321 Hartree
2	-	2	-19.13767 Hartree
3	-	2	-10.28236 Hartree
4	-	2	-10.25611 Hartree
5	-	2	-10.25297 Hartree
6	-	2	-10.20743 Hartree
7	-	2	-10.20682 Hartree
8	-	2	-10.20551 Hartree
9	-	2	-10.20488 Hartree
10	-	2	-10.20463 Hartree
11	-	2	-10.19924 Hartree
12	-	2	-10.18955 Hartree
13	-	2	-1.11832 Hartree
14	-	2	-1.03642 Hartree
15	-	2	-0.86562 Hartree
16	-	2	-0.81203 Hartree
17	-	2	-0.77271 Hartree
18	-	2	-0.75008 Hartree
19	-	2	-0.73005 Hartree
20	-	2	-0.65240 Hartree
21	-	2	-0.61257 Hartree
22	-	2	-0.60323 Hartree
23	-	2	-0.55419 Hartree
24	-	2	-0.52291 Hartree
25	-	2	-0.50315 Hartree
26	-	2	-0.47727 Hartree
27	-	2	-0.47308 Hartree
28	-	2	-0.45319 Hartree
29	-	2	-0.44122 Hartree
30	-	2	-0.43321 Hartree
31	-	2	-0.42490 Hartree
32	-	2	-0.42218 Hartree
33	-	2	-0.39813 Hartree
34	-	2	-0.39197 Hartree
35	-	2	-0.37408 Hartree
36	-	2	-0.36540 Hartree
37	-	2	-0.35542 Hartree
38	-	2	-0.35078 Hartree
39	-	2	-0.30226 Hartree
40	-	2	-0.25421 Hartree
41	-	2	-0.24873 Hartree
42	-	2	-0.23196 Hartree
43	-	0	-0.06570 Hartree
44	-	0	-0.00160 Hartree
45	-	0	0.01218 Hartree
46	-	0	0.08250 Hartree
47	-	0	0.08887 Hartree
48	-	0	0.11360 Hartree
49	-	0	0.12439 Hartree
50	-	0	0.14468 Hartree
51	-	0	0.15181 Hartree
52	-	0	0.16181 Hartree
53	-	0	0.16312 Hartree
54	-	0	0.16782 Hartree
55	-	0	0.18241 Hartree
56	-	0	0.18529 Hartree
57	-	0	0.19502 Hartree
58	-	0	0.24383 Hartree
59	-	0	0.25351 Hartree
60	-	0	0.27583 Hartree
61	-	0	0.30506 Hartree
62	-	0	0.32386 Hartree
63	-	0	0.32959 Hartree
64	-	0	0.36338 Hartree
65	-	0	0.37814 Hartree
66	-	0	0.42992 Hartree
67	-	0	0.48304 Hartree
68	-	0	0.49933 Hartree
69	-	0	0.50216 Hartree
70	-	0	0.52523 Hartree
71	-	0	0.52760 Hartree
72	-	0	0.53966 Hartree
73	-	0	0.55130 Hartree
74	-	0	0.55735 Hartree
75	-	0	0.57290 Hartree
76	-	0	0.58097 Hartree
77	-	0	0.58859 Hartree
78	-	0	0.60071 Hartree
79	-	0	0.60573 Hartree
80	-	0	0.61296 Hartree
81	-	0	0.61488 Hartree
82	-	0	0.61695 Hartree
83	-	0	0.62997 Hartree
84	-	0	0.63321 Hartree
85	-	0	0.65623 Hartree
86	-	0	0.68463 Hartree
87	-	0	0.69863 Hartree
88	-	0	0.72886 Hartree
89	-	0	0.75969 Hartree
90	-	0	0.79048 Hartree
91	-	0	0.80980 Hartree
92	-	0	0.81878 Hartree
93	-	0	0.82456 Hartree
94	-	0	0.83801 Hartree
95	-	0	0.84472 Hartree
96	-	0	0.84899 Hartree
97	-	0	0.87284 Hartree
98	-	0	0.90085 Hartree
99	-	0	0.90145 Hartree
100	-	0	0.91330 Hartree
101	-	0	0.92601 Hartree
102	-	0	0.94643 Hartree
103	-	0	0.94857 Hartree
104	-	0	0.97459 Hartree
105	-	0	0.99367 Hartree
106	-	0	1.00496 Hartree
107	-	0	1.01594 Hartree
108	-	0	1.02606 Hartree
109	-	0	1.04939 Hartree
110	-	0	1.10045 Hartree
111	-	0	1.12742 Hartree
112	-	0	1.15816 Hartree
113	-	0	1.17405 Hartree
114	-	0	1.19155 Hartree
115	-	0	1.22455 Hartree
116	-	0	1.24366 Hartree
117	-	0	1.31207 Hartree
118	-	0	1.31795 Hartree
119	-	0	1.33043 Hartree
120	-	0	1.33630 Hartree
121	-	0	1.35359 Hartree
122	-	0	1.40526 Hartree
123	-	0	1.41767 Hartree
124	-	0	1.42956 Hartree
125	-	0	1.44260 Hartree
126	-	0	1.46507 Hartree
127	-	0	1.47710 Hartree
128	-	0	1.48106 Hartree
129	-	0	1.49040 Hartree
130	-	0	1.60405 Hartree
131	-	0	1.64220 Hartree
132	-	0	1.69298 Hartree
133	-	0	1.75594 Hartree
134	-	0	1.75656 Hartree
135	-	0	1.78070 Hartree
136	-	0	1.79618 Hartree
137	-	0	1.81134 Hartree
138	-	0	1.84348 Hartree
139	-	0	1.85752 Hartree
140	-	0	1.87194 Hartree
141	-	0	1.88222 Hartree
142	-	0	1.89739 Hartree
143	-	0	1.92460 Hartree
144	-	0	1.94202 Hartree
145	-	0	1.94556 Hartree
146	-	0	1.99277 Hartree
147	-	0	2.00113 Hartree
148	-	0	2.03872 Hartree
149	-	0	2.05370 Hartree
150	-	0	2.05673 Hartree
151	-	0	2.10191 Hartree
152	-	0	2.10674 Hartree
153	-	0	2.16838 Hartree
154	-	0	2.17563 Hartree
155	-	0	2.23106 Hartree
156	-	0	2.23680 Hartree
157	-	0	2.23932 Hartree
158	-	0	2.25364 Hartree
159	-	0	2.26295 Hartree
160	-	0	2.28618 Hartree
161	-	0	2.33565 Hartree
162	-	0	2.37478 Hartree
163	-	0	2.39408 Hartree
164	-	0	2.41643 Hartree
165	-	0	2.48082 Hartree
166	-	0	2.49947 Hartree
167	-	0	2.53602 Hartree
168	-	0	2.57994 Hartree
169	-	0	2.60529 Hartree
170	-	0	2.64411 Hartree
171	-	0	2.66025 Hartree
172	-	0	2.66473 Hartree
173	-	0	2.67367 Hartree
174	-	0	2.74733 Hartree
175	-	0	2.78864 Hartree
176	-	0	2.79884 Hartree
177	-	0	2.82092 Hartree
178	-	0	2.91373 Hartree
179	-	0	2.94521 Hartree
180	-	0	2.97979 Hartree
181	-	0	3.13667 Hartree
182	-	0	3.19733 Hartree
183	-	0	3.21150 Hartree
184	-	0	3.45328 Hartree
185	-	0	3.94235 Hartree
186	-	0	4.02738 Hartree
187	-	0	4.07638 Hartree
188	-	0	4.10823 Hartree
189	-	0	4.17815 Hartree
190	-	0	4.20270 Hartree
191	-	0	4.28166 Hartree
192	-	0	4.32219 Hartree
193	-	0	4.41692 Hartree
194	-	0	4.50122 Hartree
195	-	0	4.68069 Hartree
196	-	0	4.79808 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	C	-0.76159
2	C	0.51630
3	C	0.20689
4	C	-0.23220
5	C	-0.13265
6	C	-0.20691
7	C	-0.25060
8	C	-0.22641
9	C	-0.27483
10	C	0.32917
11	O	-0.46341
12	H	0.25505
13	H	0.24504
14	H	0.24506
15	H	0.24666
16	H	0.27065
17	O	-0.53553
18	H	0.25737
19	H	0.25597
20	H	0.25597

Natural Atomic Orbitals

Display Range		- / 196
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999997146	-10.189528737 Hartree
2	C1 Val(2s)	1.135489416	-0.205889730 Hartree
3	C1 Ryd(3s)	0.000273227	1.483328916 Hartree
4	C1 Ryd(4s)	0.000015520	4.074471640 Hartree
5	C1 Val(2p)	1.108222819	-0.078158613 Hartree
6	C1 Ryd(3p)	0.001159616	0.555322057 Hartree
7	C1 Val(2p)	1.262535908	-0.095211102 Hartree
8	C1 Ryd(3p)	0.002023483	0.698878908 Hartree
9	C1 Val(2p)	1.247567507	-0.100370167 Hartree
10	C1 Ryd(3p)	0.000160418	0.628598166 Hartree
11	C1 Ryd(3d)	0.000718824	2.115530854 Hartree
12	C1 Ryd(3d)	0.000206513	1.826931318 Hartree
13	C1 Ryd(3d)	0.001328405	2.085768320 Hartree
14	C1 Ryd(3d)	0.000964528	2.133147841 Hartree
15	C1 Ryd(3d)	0.000929942	2.103943370 Hartree
16	C2 Cor(1s)	1.999997075	-10.282334881 Hartree
17	C2 Val(2s)	0.850856510	-0.106802023 Hartree
18	C2 Ryd(3s)	0.003974790	1.434876220 Hartree
19	C2 Ryd(4s)	0.000212618	3.553705391 Hartree
20	C2 Val(2p)	0.997302516	-0.024105658 Hartree
21	C2 Ryd(3p)	0.005128964	0.909485627 Hartree
22	C2 Val(2p)	0.833053342	0.032241003 Hartree
23	C2 Ryd(3p)	0.015580445	0.736558791 Hartree
24	C2 Val(2p)	0.768209996	-0.115539080 Hartree
25	C2 Ryd(3p)	0.001592826	0.624684181 Hartree
26	C2 Ryd(3d)	0.002711874	2.444418938 Hartree
27	C2 Ryd(3d)	0.000658373	1.901409663 Hartree
28	C2 Ryd(3d)	0.001748511	2.063275739 Hartree
29	C2 Ryd(3d)	0.002307803	2.456573848 Hartree
30	C2 Ryd(3d)	0.000363359	2.289110965 Hartree
31	C3 Cor(1s)	1.999996765	-10.252940033 Hartree
32	C3 Val(2s)	0.890268346	-0.115251830 Hartree
33	C3 Ryd(3s)	0.001769118	1.026784229 Hartree
34	C3 Ryd(4s)	0.000153561	4.159043097 Hartree
35	C3 Val(2p)	1.037103568	-0.027455631 Hartree
36	C3 Ryd(3p)	0.007519135	0.995339048 Hartree
37	C3 Val(2p)	0.778077731	-0.010128391 Hartree
38	C3 Ryd(3p)	0.006226018	1.130159127 Hartree
39	C3 Val(2p)	1.065247322	-0.134991931 Hartree
40	C3 Ryd(3p)	0.001147413	0.653736069 Hartree
41	C3 Ryd(3d)	0.001722525	2.465468092 Hartree
42	C3 Ryd(3d)	0.000864471	1.938340710 Hartree
43	C3 Ryd(3d)	0.001032108	1.942960072 Hartree
44	C3 Ryd(3d)	0.001366511	2.497227219 Hartree
45	C3 Ryd(3d)	0.000615451	2.317961852 Hartree
46	C4 Cor(1s)	1.999997492	-10.206884378 Hartree
47	C4 Val(2s)	0.968966581	-0.098935944 Hartree
48	C4 Ryd(3s)	0.000420072	1.262680857 Hartree
49	C4 Ryd(4s)	0.000074570	4.091407565 Hartree
50	C4 Val(2p)	1.116756960	-0.040916514 Hartree
51	C4 Ryd(3p)	0.003328849	0.829057463 Hartree
52	C4 Val(2p)	1.135828992	-0.038506549 Hartree
53	C4 Ryd(3p)	0.004450715	0.959709182 Hartree
54	C4 Val(2p)	0.998081807	-0.117349590 Hartree
55	C4 Ryd(3p)	0.000521295	0.603826009 Hartree
56	C4 Ryd(3d)	0.000811939	2.304680122 Hartree
57	C4 Ryd(3d)	0.000755227	1.893471954 Hartree
58	C4 Ryd(3d)	0.000481546	1.843999467 Hartree
59	C4 Ryd(3d)	0.000962445	2.407887039 Hartree
60	C4 Ryd(3d)	0.000765752	2.326204264 Hartree
61	C5 Cor(1s)	1.999997890	-10.207298504 Hartree
62	C5 Val(2s)	0.882653279	-0.062640589 Hartree
63	C5 Ryd(3s)	0.000602719	1.107195886 Hartree
64	C5 Ryd(4s)	0.000074780	4.220727030 Hartree
65	C5 Val(2p)	1.105566757	-0.029449096 Hartree
66	C5 Ryd(3p)	0.005418694	1.132326558 Hartree
67	C5 Val(2p)	1.082195384	-0.030548116 Hartree
68	C5 Ryd(3p)	0.004048400	1.143131969 Hartree
69	C5 Val(2p)	1.048401179	-0.110834590 Hartree
70	C5 Ryd(3p)	0.000253835	0.687661226 Hartree
71	C5 Ryd(3d)	0.000905714	2.531534047 Hartree
72	C5 Ryd(3d)	0.000637984	1.926320818 Hartree
73	C5 Ryd(3d)	0.000664559	1.902859735 Hartree
74	C5 Ryd(3d)	0.000639476	2.409360690 Hartree
75	C5 Ryd(3d)	0.000590016	2.352450064 Hartree
76	C6 Cor(1s)	1.999997766	-10.204870882 Hartree
77	C6 Val(2s)	0.953178791	-0.090008529 Hartree
78	C6 Ryd(3s)	0.000528284	1.460413882 Hartree
79	C6 Ryd(4s)	0.000050370	3.818982178 Hartree
80	C6 Val(2p)	1.155134287	-0.038667782 Hartree
81	C6 Ryd(3p)	0.004515958	0.997845346 Hartree
82	C6 Val(2p)	1.094171593	-0.017347631 Hartree
83	C6 Ryd(3p)	0.003100940	0.816839225 Hartree
84	C6 Val(2p)	0.992041313	-0.110285654 Hartree
85	C6 Ryd(3p)	0.000771618	0.617223238 Hartree
86	C6 Ryd(3d)	0.001030361	2.352539903 Hartree
87	C6 Ryd(3d)	0.000368339	1.834739313 Hartree
88	C6 Ryd(3d)	0.000548966	1.905323919 Hartree
89	C6 Ryd(3d)	0.000769038	2.380911445 Hartree
90	C6 Ryd(3d)	0.000700125	2.283745240 Hartree
91	C7 Cor(1s)	1.999997871	-10.199245719 Hartree
92	C7 Val(2s)	0.964292179	-0.101263805 Hartree
93	C7 Ryd(3s)	0.000404533	1.288740320 Hartree
94	C7 Ryd(4s)	0.000054591	3.988215573 Hartree
95	C7 Val(2p)	1.158902411	-0.041694881 Hartree
96	C7 Ryd(3p)	0.004701020	1.002011575 Hartree
97	C7 Val(2p)	1.097253511	-0.016037607 Hartree
98	C7 Ryd(3p)	0.004137457	0.811457291 Hartree
99	C7 Val(2p)	1.016617954	-0.109458334 Hartree
100	C7 Ryd(3p)	0.000786446	0.618064616 Hartree
101	C7 Ryd(3d)	0.000980630	2.351475417 Hartree
102	C7 Ryd(3d)	0.000361683	1.823159813 Hartree
103	C7 Ryd(3d)	0.000533188	1.899129739 Hartree
104	C7 Ryd(3d)	0.000825400	2.363018601 Hartree
105	C7 Ryd(3d)	0.000753684	2.234340991 Hartree
106	C8 Cor(1s)	1.999997879	-10.204697711 Hartree
107	C8 Val(2s)	0.966706823	-0.106487666 Hartree
108	C8 Ryd(3s)	0.000366037	1.270133070 Hartree
109	C8 Ryd(4s)	0.000057013	3.999146565 Hartree
110	C8 Val(2p)	1.053164129	-0.005005808 Hartree
111	C8 Ryd(3p)	0.003540656	0.696113756 Hartree
112	C8 Val(2p)	1.196999875	-0.056523777 Hartree
113	C8 Ryd(3p)	0.005244661	1.110509943 Hartree
114	C8 Val(2p)	0.996031586	-0.111878132 Hartree
115	C8 Ryd(3p)	0.000801921	0.615494010 Hartree
116	C8 Ryd(3d)	0.000757492	2.362202429 Hartree
117	C8 Ryd(3d)	0.000604897	1.935492000 Hartree
118	C8 Ryd(3d)	0.000331153	1.780014547 Hartree
119	C8 Ryd(3d)	0.001060220	2.350175166 Hartree
120	C8 Ryd(3d)	0.000750438	2.232544445 Hartree
121	C9 Cor(1s)	1.999997671	-10.205394333 Hartree
122	C9 Val(2s)	0.962592724	-0.100738740 Hartree
123	C9 Ryd(3s)	0.000671790	1.374564374 Hartree
124	C9 Ryd(4s)	0.000059551	3.905578947 Hartree
125	C9 Val(2p)	1.186412817	-0.052705777 Hartree
126	C9 Ryd(3p)	0.004864520	1.024941315 Hartree
127	C9 Val(2p)	1.082509101	-0.023843943 Hartree
128	C9 Ryd(3p)	0.003985601	0.764645279 Hartree
129	C9 Val(2p)	1.029423889	-0.115905689 Hartree
130	C9 Ryd(3p)	0.000830657	0.614037309 Hartree
131	C9 Ryd(3d)	0.000723474	2.353912809 Hartree
132	C9 Ryd(3d)	0.000481670	1.826512419 Hartree
133	C9 Ryd(3d)	0.000515223	1.904340245 Hartree
134	C9 Ryd(3d)	0.001020980	2.376288694 Hartree
135	C9 Ryd(3d)	0.000739588	2.285654145 Hartree
136	C10 Cor(1s)	1.999996704	-10.256076714 Hartree
137	C10 Val(2s)	0.831802738	-0.079994258 Hartree
138	C10 Ryd(3s)	0.001850427	1.139799559 Hartree
139	C10 Ryd(4s)	0.000141332	4.085992791 Hartree
140	C10 Val(2p)	0.829462269	-0.005318748 Hartree
141	C10 Ryd(3p)	0.007624805	0.922468322 Hartree
142	C10 Val(2p)	0.984774414	-0.009961260 Hartree
143	C10 Ryd(3p)	0.003561657	1.121100152 Hartree
144	C10 Val(2p)	1.005064705	-0.126522848 Hartree
145	C10 Ryd(3p)	0.000750318	0.650223077 Hartree
146	C10 Ryd(3d)	0.001690268	2.510886554 Hartree
147	C10 Ryd(3d)	0.001057197	1.939756864 Hartree
148	C10 Ryd(3d)	0.001127383	1.965041803 Hartree
149	C10 Ryd(3d)	0.001332697	2.490425927 Hartree
150	C10 Ryd(3d)	0.000588538	2.355575082 Hartree
151	O11 Cor(1s)	1.999998838	-19.223179235 Hartree
152	O11 Val(2s)	1.590836499	-0.723405408 Hartree
153	O11 Ryd(3s)	0.000325760	2.260757731 Hartree
154	O11 Ryd(4s)	0.000055885	3.892965363 Hartree
155	O11 Val(2p)	1.720976405	-0.355008001 Hartree
156	O11 Ryd(3p)	0.001776385	1.252089682 Hartree
157	O11 Val(2p)	1.404711094	-0.311259432 Hartree
158	O11 Ryd(3p)	0.001017359	1.492657443 Hartree
159	O11 Val(2p)	1.733199737	-0.334723653 Hartree
160	O11 Ryd(3p)	0.001080730	1.018438195 Hartree
161	O11 Ryd(3d)	0.002626779	2.539695801 Hartree
162	O11 Ryd(3d)	0.002609866	1.863624134 Hartree
163	O11 Ryd(3d)	0.000587463	1.903146663 Hartree
164	O11 Ryd(3d)	0.001997046	2.275329091 Hartree
165	O11 Ryd(3d)	0.001609126	2.186661366 Hartree
166	H12 Val(1s)	0.744011326	0.095827290 Hartree
167	H12 Ryd(2s)	0.000938649	0.571111966 Hartree
168	H13 Val(1s)	0.754282999	0.098861339 Hartree
169	H13 Ryd(2s)	0.000675880	0.577125126 Hartree
170	H14 Val(1s)	0.754227339	0.101486454 Hartree
171	H14 Ryd(2s)	0.000707964	0.578649414 Hartree
172	H15 Val(1s)	0.752527585	0.097214153 Hartree
173	H15 Ryd(2s)	0.000809700	0.568247132 Hartree
174	H16 Val(1s)	0.728606122	0.110139194 Hartree
175	H16 Ryd(2s)	0.000746875	0.552581724 Hartree
176	O17 Cor(1s)	1.999999079	-19.137529611 Hartree
177	O17 Val(2s)	1.699698453	-0.660555975 Hartree
178	O17 Ryd(3s)	0.000347703	1.834752338 Hartree
179	O17 Ryd(4s)	0.000020948	3.669586728 Hartree
180	O17 Val(2p)	1.844453332	-0.254353757 Hartree
181	O17 Ryd(3p)	0.002005456	1.201678748 Hartree
182	O17 Val(2p)	1.621469550	-0.270431455 Hartree
183	O17 Ryd(3p)	0.000442424	1.217836049 Hartree
184	O17 Val(2p)	1.354802314	-0.236133348 Hartree
185	O17 Ryd(3p)	0.000495608	1.024582641 Hartree
186	O17 Ryd(3d)	0.003546096	2.291056778 Hartree
187	O17 Ryd(3d)	0.000492991	1.850817398 Hartree
188	O17 Ryd(3d)	0.003210570	1.982410214 Hartree
189	O17 Ryd(3d)	0.003488681	2.326099817 Hartree
190	O17 Ryd(3d)	0.001058049	2.080198049 Hartree
191	H18 Val(1s)	0.741239563	0.106669735 Hartree
192	H18 Ryd(2s)	0.001388717	0.652463430 Hartree
193	H19 Val(1s)	0.743286663	0.087674329 Hartree
194	H19 Ryd(2s)	0.000743354	0.655930887 Hartree
195	H20 Val(1s)	0.743286663	0.087674329 Hartree
196	H20 Ryd(2s)	0.000743354	0.655930887 Hartree

Natural Hybrid Orbitals

Display Range		- / 196
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999997146	-10.189528737 Hartree
2	CR(1)C2 s(100.00%)	1.999997075	-10.282334881 Hartree
3	CR(1)C3 s(100.00%)	1.999996765	-10.252940033 Hartree
4	CR(1)C4 s(100.00%)	1.999997492	-10.206884378 Hartree
5	CR(1)C5 s(100.00%)	1.999997890	-10.207298504 Hartree
6	CR(1)C6 s(100.00%)	1.999997766	-10.204870882 Hartree
7	CR(1)C7 s(100.00%)	1.999997871	-10.199245719 Hartree
8	CR(1)C8 s(100.00%)	1.999997879	-10.204697711 Hartree
9	CR(1)C9 s(100.00%)	1.999997671	-10.205394333 Hartree
10	CR(1)C10 s(100.00%)	1.999996704	-10.256076714 Hartree
11	CR(1)O11 s(100.00%)	1.999998838	-19.223179235 Hartree
12	CR(1)O17 s(100.00%)	1.999999079	-19.137529611 Hartree
13	LP(1)O11 s(37.46%)p1.67(62.46%)d0.00(0.09%)	1.969959118	-0.511967379 Hartree
14	LP(2)O11 s(0.00%)p1.00(99.85%)d0.00(0.15%)	1.735822124	-0.335975522 Hartree
15	LP(1)O17 s(58.37%)p0.71(41.58%)d0.00(0.05%)	1.979325929	-0.546883220 Hartree
16	LP(2)O17 s(0.01%)p1.00(99.82%)d0.00(0.18%)	1.886136489	-0.253689255 Hartree
17	BD(1)C1(C2) 1s(26.98%)p2.70(72.96%)d0.00(0.07%)	1.033634894	-0.084995717 Hartree
18	BD(1)C2(C1) 2s(35.04%)p1.85(64.91%)d0.00(0.05%)	1.011248170	-0.090520446 Hartree
19	BD(1)C1(H18) 1s(25.02%)p2.99(74.91%)d0.00(0.08%)	1.252070959	-0.123265904 Hartree
20	BD(1)H18(C1) 18s(100.00%)	0.741238611	0.107339376 Hartree
21	BD(1)C1(H19) 1s(23.99%)p3.17(75.93%)d0.00(0.08%)	1.236318956	-0.128198661 Hartree
22	BD(1)H19(C1) 19s(100.00%)	0.743286183	0.088144187 Hartree
23	BD(1)C1(H20) 1s(23.99%)p3.17(75.93%)d0.00(0.08%)	1.236318956	-0.128198661 Hartree
24	BD(1)H20(C1) 20s(100.00%)	0.743286183	0.088144187 Hartree
25	BD(1)C2(C3) 2s(33.50%)p1.98(66.44%)d0.00(0.07%)	0.981314101	-0.063646134 Hartree
26	BD(1)C3(C2) 3s(36.72%)p1.72(63.23%)d0.00(0.05%)	1.069500890	-0.096607384 Hartree
27	BD(1)C2(O17) 2s(31.26%)p2.19(68.58%)d0.01(0.16%)	0.695544564	0.081791723 Hartree
28	BD(1)O17(C2) 17s(41.60%)p1.40(58.11%)d0.01(0.29%)	1.308892475	-0.382019079 Hartree
29	BD(2)C2(O17) 2s(0.00%)p1.00(99.78%)d0.00(0.22%)	0.769115793	-0.114208114 Hartree
30	BD(2)O17(C2) 17s(0.00%)p1.00(99.72%)d0.00(0.28%)	1.358580913	-0.236123747 Hartree
31	BD(1)C3(C4) 3s(40.18%)p1.49(59.77%)d0.00(0.05%)	1.003602055	-0.023141255 Hartree
32	BD(1)C4(C3) 4s(34.12%)p1.93(65.80%)d0.00(0.08%)	0.994329660	-0.004239860 Hartree
33	BD(2)C3(C4) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.065423658	-0.134869677 Hartree
34	BD(2)C4(C3) 4s(0.00%)p1.00(99.91%)d0.00(0.09%)	0.998800204	-0.116584892 Hartree
35	BD(1)C3(O11) 3s(23.03%)p3.33(76.76%)d0.01(0.22%)	0.637760756	-0.014960853 Hartree
36	BD(1)O11(C3) 11s(30.31%)p2.29(69.55%)d0.00(0.15%)	1.381353167	-0.436693159 Hartree
37	BD(1)C4(C5) 4s(32.93%)p2.04(67.01%)d0.00(0.06%)	0.966815463	-0.013071371 Hartree
38	BD(1)C5(C4) 5s(33.02%)p2.03(66.93%)d0.00(0.05%)	1.020219524	-0.045089547 Hartree
39	BD(1)C4(H16) 4s(32.80%)p2.05(67.14%)d0.00(0.06%)	1.264938884	-0.145913013 Hartree
40	BD(1)H16(C4) 16s(100.00%)	0.728603143	0.111204843 Hartree
41	BD(1)C5(C6) 5s(37.10%)p1.69(62.86%)d0.00(0.04%)	1.036966484	-0.037582727 Hartree
42	BD(1)C6(C5) 6s(34.52%)p1.90(65.42%)d0.00(0.07%)	0.961287725	0.006299643 Hartree
43	BD(1)C5(C10) 5s(29.72%)p2.36(70.21%)d0.00(0.07%)	1.016667032	-0.032634447 Hartree
44	BD(1)C10(C5) 10s(36.02%)p1.77(63.92%)d0.00(0.06%)	0.985996205	-0.029488807 Hartree
45	BD(2)C5(C10) 5s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.048374222	-0.110359256 Hartree
46	BD(2)C10(C5) 10s(0.00%)p1.00(99.97%)d0.00(0.03%)	1.004940213	-0.126560129 Hartree
47	BD(1)C6(C7) 6s(36.02%)p1.77(63.92%)d0.00(0.06%)	1.002510234	-0.005314470 Hartree
48	BD(1)C7(C6) 7s(35.87%)p1.79(64.07%)d0.00(0.07%)	0.989751391	-0.003159514 Hartree
49	BD(2)C6(C7) 6s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.992488411	-0.110676039 Hartree
50	BD(2)C7(C6) 7s(0.00%)p1.00(99.96%)d0.00(0.04%)	1.017184971	-0.110472127 Hartree
51	BD(1)C6(H15) 6s(29.38%)p2.40(70.55%)d0.00(0.07%)	1.243173377	-0.129870760 Hartree
52	BD(1)H15(C6) 15s(100.00%)	0.752526066	0.097967894 Hartree
53	BD(1)C7(C8) 7s(35.06%)p1.85(64.88%)d0.00(0.06%)	0.995899468	-0.015402898 Hartree
54	BD(1)C8(C7) 8s(35.43%)p1.82(64.51%)d0.00(0.06%)	1.000067647	-0.017564288 Hartree
55	BD(1)C7(H14) 7s(28.99%)p2.45(70.94%)d0.00(0.07%)	1.239854569	-0.122962004 Hartree
56	BD(1)H14(C7) 14s(100.00%)	0.754226622	0.102011949 Hartree
57	BD(1)C8(C9) 8s(35.54%)p1.81(64.40%)d0.00(0.07%)	0.981894329	-0.007909134 Hartree
58	BD(1)C9(C8) 9s(35.85%)p1.79(64.10%)d0.00(0.06%)	1.006088965	-0.012160383 Hartree
59	BD(2)C8(C9) 8s(0.00%)p1.00(99.95%)d0.00(0.05%)	0.996527844	-0.112624645 Hartree
60	BD(2)C9(C8) 9s(0.00%)p1.00(99.95%)d0.00(0.05%)	1.030006858	-0.116606729 Hartree
61	BD(1)C8(H13) 8s(28.94%)p2.45(70.98%)d0.00(0.08%)	1.239670770	-0.125720054 Hartree
62	BD(1)H13(C8) 13s(100.00%)	0.754282325	0.099370662 Hartree
63	BD(1)C9(C10) 9s(33.95%)p1.94(65.98%)d0.00(0.07%)	0.979694486	-0.010532567 Hartree
64	BD(1)C10(C9) 10s(39.40%)p1.54(60.55%)d0.00(0.04%)	1.020667276	-0.038904940 Hartree
65	BD(1)C9(H12) 9s(30.12%)p2.32(69.82%)d0.00(0.07%)	1.250406324	-0.137274298 Hartree
66	BD(1)H12(C9) 12s(100.00%)	0.744009503	0.096667392 Hartree
67	BD(1)C10(O11) 10s(24.36%)p3.10(75.44%)d0.01(0.20%)	0.644912889	-0.010659753 Hartree
68	BD(1)O11(C10) 11s(32.19%)p2.10(67.66%)d0.00(0.16%)	1.371740110	-0.439579308 Hartree
69	RY(1)C1 s(3.25%)p29.06(94.39%)d0.73(2.36%)	0.002119170	0.811665740 Hartree
70	RY(2)C1 s(25.76%)p2.20(56.69%)d0.68(17.55%)	0.000611642	1.022005284 Hartree
71	RY(3)C1 s(0.00%)p1.00(47.61%)d1.10(52.39%)	0.000330546	1.403546422 Hartree
72	RY(4)C1 s(34.55%)p0.94(32.54%)d0.95(32.90%)	0.000111662	1.428482324 Hartree
73	RY(5)C1 s(7.83%)p1.23(9.62%)d10.54(82.55%)	0.000046276	1.958156607 Hartree
74	RY(6)C1 s(0.00%)p1.00(8.84%)d10.31(91.16%)	0.000013605	1.814177129 Hartree
75	RY(7)C1 s(49.05%)p0.03(1.35%)d1.01(49.60%)	0.000012759	3.023970476 Hartree
76	RY(8)C1 s(0.00%)p1.00(43.66%)d1.29(56.34%)	0.000004578	1.318366662 Hartree
77	RY(9)C1 s(55.02%)p0.04(2.28%)d0.78(42.70%)	0.000001492	2.871371470 Hartree
78	RY(10)C1 s(24.57%)p0.13(3.29%)d2.94(72.14%)	0.000000634	2.039208609 Hartree
79	RY(1)C2 s(13.30%)p6.51(86.50%)d0.02(0.21%)	0.015437351	0.786791958 Hartree
80	RY(2)C2 s(0.44%)p99.99(47.13%)d99.99(52.43%)	0.005339387	1.661746427 Hartree
81	RY(3)C2 s(0.00%)p1.00(46.27%)d1.16(53.73%)	0.002457731	1.403739989 Hartree
82	RY(4)C2 s(1.55%)p32.76(50.92%)d30.58(47.53%)	0.001439324	1.662502139 Hartree
83	RY(5)C2 s(51.89%)p0.13(6.80%)d0.80(41.31%)	0.000753868	2.043462049 Hartree
84	RY(6)C2 s(0.00%)p1.00(17.61%)d4.68(82.39%)	0.000593102	1.681842251 Hartree
85	RY(7)C2 s(33.26%)p0.25(8.27%)d1.76(58.47%)	0.000257499	2.002392989 Hartree
86	RY(8)C2 s(97.90%)p0.00(0.35%)d0.02(1.75%)	0.000154895	3.392170413 Hartree
87	RY(9)C2 s(0.00%)p1.00(36.34%)d1.75(63.66%)	0.000043081	1.502456378 Hartree
88	RY(10)C2 s(1.87%)p0.06(0.11%)d52.34(98.02%)	0.000003063	2.249371984 Hartree
89	RY(1)C3 s(9.58%)p9.31(89.17%)d0.13(1.25%)	0.008115414	0.891476296 Hartree
90	RY(2)C3 s(3.43%)p22.73(77.85%)d5.47(18.72%)	0.003889217	1.463669549 Hartree
91	RY(3)C3 s(0.00%)p1.00(3.18%)d30.41(96.82%)	0.001435515	1.921458086 Hartree
92	RY(4)C3 s(49.38%)p0.18(9.10%)d0.84(41.52%)	0.001335943	1.653408732 Hartree
93	RY(5)C3 s(0.00%)p1.00(92.26%)d0.08(7.74%)	0.001011264	0.752765316 Hartree
94	RY(6)C3 s(0.00%)p1.00(4.60%)d20.76(95.40%)	0.000420878	1.860691195 Hartree
95	RY(7)C3 s(38.90%)p0.13(5.11%)d1.44(55.99%)	0.000405019	2.509892877 Hartree
96	RY(8)C3 s(17.48%)p1.00(17.53%)d3.72(64.99%)	0.000141676	1.988056273 Hartree
97	RY(9)C3 s(79.75%)p0.02(1.36%)d0.24(18.89%)	0.000063257	3.713926476 Hartree
98	RY(10)C3 s(1.57%)p0.08(0.12%)d62.80(98.31%)	0.000007739	2.353426100 Hartree
99	RY(1)C4 s(3.32%)p27.55(91.51%)d1.56(5.17%)	0.003505315	1.234015363 Hartree
100	RY(2)C4 s(1.26%)p73.79(93.31%)d4.29(5.42%)	0.002413661	0.799375037 Hartree
101	RY(3)C4 s(0.00%)p1.00(34.95%)d1.86(65.05%)	0.000639756	1.426090028 Hartree
102	RY(4)C4 s(0.00%)p1.00(58.75%)d0.70(41.25%)	0.000374257	1.128721692 Hartree
103	RY(5)C4 s(86.04%)p0.09(7.72%)d0.07(6.25%)	0.000193078	1.230353602 Hartree
104	RY(6)C4 s(18.10%)p0.24(4.31%)d4.29(77.59%)	0.000103260	2.276045541 Hartree
105	RY(7)C4 s(41.21%)p0.02(0.63%)d1.41(58.15%)	0.000046311	3.059459750 Hartree
106	RY(8)C4 s(0.00%)p1.00(6.38%)d14.67(93.62%)	0.000025657	1.785721011 Hartree
107	RY(9)C4 s(48.93%)p0.05(2.54%)d0.99(48.53%)	0.000017229	3.187346611 Hartree
108	RY(10)C4 s(1.29%)p0.03(0.03%)d76.75(98.68%)	0.000004015	2.379895824 Hartree
109	RY(1)C5 s(4.26%)p21.30(90.83%)d1.15(4.90%)	0.005519059	1.176683212 Hartree
110	RY(2)C5 s(0.40%)p99.99(90.48%)d22.72(9.12%)	0.002745097	1.403148122 Hartree
111	RY(3)C5 s(0.00%)p1.00(0.18%)d99.99(99.82%)	0.000857449	1.935805581 Hartree
112	RY(4)C5 s(0.00%)p1.00(8.04%)d11.43(91.96%)	0.000489818	1.783515374 Hartree
113	RY(5)C5 s(78.82%)p0.07(5.64%)d0.20(15.53%)	0.000388519	1.342855524 Hartree
114	RY(6)C5 s(0.00%)p1.00(91.81%)d0.09(8.19%)	0.000236069	0.797045491 Hartree
115	RY(7)C5 s(39.14%)p0.10(3.86%)d1.46(57.00%)	0.000091545	3.051048134 Hartree
116	RY(8)C5 s(22.30%)p0.29(6.40%)d3.20(71.30%)	0.000069523	2.085043428 Hartree
117	RY(9)C5 s(51.14%)p0.05(2.49%)d0.91(46.38%)	0.000023790	3.424552404 Hartree
118	RY(10)C5 s(4.09%)p0.07(0.29%)d23.36(95.62%)	0.000004645	2.406064340 Hartree
119	RY(1)C6 s(0.17%)p99.99(91.06%)d52.82(8.78%)	0.004103210	1.280394500 Hartree
120	RY(2)C6 s(0.13%)p99.99(97.61%)d17.09(2.26%)	0.001813149	0.734835780 Hartree
121	RY(3)C6 s(0.00%)p1.00(47.07%)d1.12(52.93%)	0.000746224	1.304276917 Hartree
122	RY(4)C6 s(0.00%)p1.00(48.96%)d1.04(51.04%)	0.000479594	1.276262439 Hartree
123	RY(5)C6 s(88.98%)p0.00(0.05%)d0.12(10.97%)	0.000175175	1.400120644 Hartree
124	RY(6)C6 s(33.93%)p0.05(1.76%)d1.90(64.30%)	0.000063599	2.907881321 Hartree
125	RY(7)C6 s(72.43%)p0.01(0.67%)d0.37(26.90%)	0.000037785	3.269879914 Hartree
126	RY(8)C6 s(0.00%)p1.00(4.02%)d23.85(95.98%)	0.000016007	1.777137500 Hartree
127	RY(9)C6 s(1.84%)p4.85(8.93%)d48.46(89.23%)	0.000013689	2.171680906 Hartree
128	RY(10)C6 s(2.60%)p0.01(0.03%)d37.39(97.36%)	0.000001803	2.329345799 Hartree
129	RY(1)C7 s(0.09%)p99.99(92.73%)d79.38(7.18%)	0.004461399	1.260147731 Hartree
130	RY(2)C7 s(0.02%)p99.99(98.75%)d69.61(1.24%)	0.002089485	0.718353102 Hartree
131	RY(3)C7 s(0.00%)p1.00(5.42%)d17.43(94.58%)	0.000641240	1.865117930 Hartree
132	RY(4)C7 s(0.00%)p1.00(85.51%)d0.17(14.49%)	0.000471954	0.767372144 Hartree
133	RY(5)C7 s(27.09%)p0.04(1.09%)d2.65(71.83%)	0.000130610	1.984406485 Hartree
134	RY(6)C7 s(70.28%)p0.00(0.24%)d0.42(29.48%)	0.000079185	1.794842537 Hartree
135	RY(7)C7 s(89.26%)p0.01(0.65%)d0.11(10.09%)	0.000035066	3.628610010 Hartree
136	RY(8)C7 s(8.80%)p0.74(6.53%)d9.62(84.67%)	0.000002635	2.304850463 Hartree
137	RY(9)C7 s(0.00%)p1.00(9.11%)d9.98(90.89%)	0.000001107	1.708877887 Hartree
138	RY(10)C7 s(4.55%)p0.03(0.14%)d20.94(95.31%)	0.000001607	2.330577564 Hartree
139	RY(1)C8 s(0.19%)p99.99(92.85%)d36.65(6.96%)	0.004794964	1.251510030 Hartree
140	RY(2)C8 s(0.16%)p99.99(98.40%)d8.69(1.43%)	0.001969865	0.724330226 Hartree
141	RY(3)C8 s(0.00%)p1.00(0.89%)d99.99(99.11%)	0.000703896	1.923776300 Hartree
142	RY(4)C8 s(0.00%)p1.00(90.26%)d0.11(9.74%)	0.000534772	0.701315278 Hartree
143	RY(5)C8 s(29.57%)p0.05(1.53%)d2.33(68.91%)	0.000126625	1.968927273 Hartree
144	RY(6)C8 s(67.82%)p0.00(0.12%)d0.47(32.05%)	0.000087097	1.852144769 Hartree
145	RY(7)C8 s(92.45%)p0.01(0.54%)d0.08(7.01%)	0.000028882	3.599072761 Hartree
146	RY(8)C8 s(3.62%)p1.19(4.30%)d25.47(92.08%)	0.000006430	2.197782723 Hartree
147	RY(9)C8 s(0.00%)p1.00(8.89%)d10.25(91.11%)	0.000003046	1.706655492 Hartree
148	RY(10)C8 s(6.28%)p0.38(2.37%)d14.55(91.35%)	0.000000735	2.410233816 Hartree
149	RY(1)C9 s(0.46%)p99.99(93.06%)d14.07(6.48%)	0.004300714	1.168431058 Hartree
150	RY(2)C9 s(0.54%)p99.99(96.68%)d5.20(2.78%)	0.002687196	0.792909278 Hartree
151	RY(3)C9 s(0.00%)p1.00(46.32%)d1.16(53.68%)	0.000765828	1.306787046 Hartree
152	RY(4)C9 s(0.00%)p1.00(49.13%)d1.04(50.87%)	0.000466802	1.264008495 Hartree
153	RY(5)C9 s(98.35%)p0.01(0.96%)d0.01(0.68%)	0.000266466	1.227224863 Hartree
154	RY(6)C9 s(20.04%)p0.12(2.34%)d3.87(77.62%)	0.000070654	2.720733861 Hartree
155	RY(7)C9 s(73.32%)p0.00(0.20%)d0.36(26.48%)	0.000048867	3.591030948 Hartree
156	RY(8)C9 s(5.17%)p1.32(6.81%)d17.04(88.03%)	0.000013465	2.270365447 Hartree
157	RY(9)C9 s(0.00%)p1.00(4.60%)d20.73(95.40%)	0.000011951	1.774795473 Hartree
158	RY(10)C9 s(2.21%)p0.03(0.06%)d44.31(97.73%)	0.000003009	2.297568897 Hartree
159	RY(1)C10 s(7.51%)p11.17(83.87%)d1.15(8.62%)	0.005357082	1.062393336 Hartree
160	RY(2)C10 s(6.61%)p12.41(82.05%)d1.71(11.34%)	0.003917175	1.249251474 Hartree
161	RY(3)C10 s(0.00%)p1.00(1.26%)d78.12(98.74%)	0.001533291	1.967954229 Hartree
162	RY(4)C10 s(48.98%)p0.27(13.17%)d0.77(37.85%)	0.001487702	1.665278471 Hartree
163	RY(5)C10 s(0.00%)p1.00(23.49%)d3.26(76.51%)	0.000968615	1.609641278 Hartree
164	RY(6)C10 s(0.00%)p1.00(75.28%)d0.33(24.72%)	0.000557483	0.977463518 Hartree
165	RY(7)C10 s(37.94%)p0.07(2.50%)d1.57(59.56%)	0.000276606	2.308527984 Hartree
166	RY(8)C10 s(16.92%)p0.97(16.33%)d3.94(66.75%)	0.000187480	2.194382624 Hartree
167	RY(9)C10 s(78.20%)p0.02(1.92%)d0.25(19.88%)	0.000023857	3.743943813 Hartree
168	RY(10)C10 s(4.06%)p0.06(0.24%)d23.59(95.70%)	0.000002872	2.386249918 Hartree
169	RY(1)O11 s(10.24%)p7.74(79.25%)d1.03(10.51%)	0.001844327	1.133561570 Hartree
170	RY(2)O11 s(0.00%)p1.00(91.60%)d0.09(8.40%)	0.001157208	1.040002462 Hartree
171	RY(3)O11 s(2.65%)p35.27(93.33%)d1.52(4.02%)	0.000729552	1.677747285 Hartree
172	RY(4)O11 s(0.00%)p1.00(0.09%)d99.99(99.91%)	0.000466417	1.907065523 Hartree
173	RY(5)O11 s(89.02%)p0.11(9.91%)d0.01(1.07%)	0.000175028	2.030845757 Hartree
174	RY(6)O11 s(2.85%)p3.67(10.45%)d30.45(86.71%)	0.000083273	2.252468326 Hartree
175	RY(7)O11 s(31.03%)p0.09(2.74%)d2.13(66.23%)	0.000031833	3.049565537 Hartree
176	RY(8)O11 s(0.00%)p1.00(8.46%)d10.81(91.54%)	0.000032047	1.839392875 Hartree
177	RY(9)O11 s(32.16%)p0.03(0.99%)d2.08(66.85%)	0.000013523	3.152335289 Hartree
178	RY(10)O11 s(32.12%)p0.11(3.66%)d2.00(64.22%)	0.000002406	2.602199719 Hartree
179	RY(1)H12 s(100.00%)	0.000940472	0.570271864 Hartree
180	RY(1)H13 s(100.00%)	0.000676553	0.576615803 Hartree
181	RY(1)H14 s(100.00%)	0.000708681	0.578123919 Hartree
182	RY(1)H15 s(100.00%)	0.000811219	0.567493391 Hartree
183	RY(1)H16 s(100.00%)	0.000749853	0.551516075 Hartree
184	RY(1)O17 s(0.08%)p99.99(98.49%)d19.08(1.43%)	0.001958858	1.154950413 Hartree
185	RY(2)O17 s(0.00%)p1.00(93.96%)d0.06(6.04%)	0.000409615	1.039848679 Hartree
186	RY(3)O17 s(41.07%)p1.05(43.01%)d0.39(15.92%)	0.000142899	1.756729381 Hartree
187	RY(4)O17 s(60.38%)p0.29(17.78%)d0.36(21.84%)	0.000036727	2.288958032 Hartree
188	RY(5)O17 s(14.25%)p0.06(0.86%)d5.96(84.89%)	0.000024854	2.392636036 Hartree
189	RY(6)O17 s(52.80%)p0.59(31.38%)d0.30(15.82%)	0.000010170	2.023367106 Hartree
190	RY(7)O17 s(0.00%)p1.00(2.82%)d34.51(97.18%)	0.000009120	1.812441732 Hartree
191	RY(8)O17 s(0.00%)p1.00(3.50%)d27.60(96.50%)	0.000001835	2.005510240 Hartree
192	RY(9)O17 s(15.94%)p0.55(8.84%)d4.72(75.22%)	0.000000650	2.603042765 Hartree
193	RY(10)O17 s(15.52%)p0.01(0.12%)d5.43(84.36%)	0.000001645	2.398775143 Hartree
194	RY(1)H18 s(100.00%)	0.001389669	0.651793789 Hartree
195	RY(1)H19 s(100.00%)	0.000743834	0.655461029 Hartree
196	RY(1)H20 s(100.00%)	0.000743834	0.655461029 Hartree

Natural Bond Orbitals

Display Range		- / 196
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	484	1.999997146	-10.189528737 Hartree
2	CR(1)C2	485	1.999997075	-10.282334881 Hartree
3	CR(1)C3	486	1.999996765	-10.252940033 Hartree
4	CR(1)C4	487	1.999997492	-10.206884378 Hartree
5	CR(1)C5	488	1.999997890	-10.207298504 Hartree
6	CR(1)C6	489	1.999997766	-10.204870882 Hartree
7	CR(1)C7	490	1.999997871	-10.199245719 Hartree
8	CR(1)C8	491	1.999997879	-10.204697711 Hartree
9	CR(1)C9	492	1.999997671	-10.205394333 Hartree
10	CR(1)C10	493	1.999996704	-10.256076714 Hartree
11	CR(1)O11	494	1.999998838	-19.223179235 Hartree
12	CR(1)O17	495	1.999999079	-19.137529611 Hartree
13	LP(1)O11	496	1.969959118	-0.511967379 Hartree
14	LP(2)O11	497	1.735822124	-0.335975522 Hartree
15	LP(1)O17	498	1.979325929	-0.546883220 Hartree
16	LP(2)O17	499	1.886136489	-0.253689255 Hartree
17	BD(1)C1-C2	500, 501	1.991222756	-0.562095005 Hartree
18	BD(1)C1-H18	502, 503	1.988633335	-0.475801928 Hartree
19	BD(1)C1-H19	504, 505	1.973718830	-0.480022792 Hartree
20	BD(1)C1-H20	506, 507	1.973718830	-0.480022792 Hartree
21	BD(1)C2-C3	508, 509	1.983825534	-0.608529394 Hartree
22	BD(1)C2-O17	510, 511	1.994476804	-0.896134354 Hartree
23	BD(2)C2-O17	512, 513	1.969934311	-0.368303037 Hartree
24	BD(1)C3-C4	514, 515	1.980611434	-0.622074503 Hartree
25	BD(2)C3-C4	516, 517	1.807638031	-0.277484386 Hartree
26	BD(1)C3-O11	518, 519	1.987424452	-0.782511826 Hartree
27	BD(1)C4-C5	520, 521	1.969062403	-0.573542486 Hartree
28	BD(1)C4-H16	522, 523	1.980798927	-0.506782239 Hartree
29	BD(1)C5-C6	524, 525	1.975952792	-0.594787394 Hartree
30	BD(1)C5-C10	526, 527	1.971151364	-0.593391309 Hartree
31	BD(2)C5-C10	528, 529	1.590821623	-0.256758425 Hartree
32	BD(1)C6-C7	530, 531	1.979815705	-0.592502687 Hartree
33	BD(2)C6-C7	532, 533	1.717830594	-0.253910821 Hartree
34	BD(1)C6-H15	534, 535	1.982802280	-0.493635823 Hartree
35	BD(1)C7-C8	536, 537	1.981341940	-0.586190571 Hartree
36	BD(1)C7-H14	538, 539	1.982601654	-0.489150174 Hartree
37	BD(1)C8-C9	540, 541	1.975603398	-0.594816701 Hartree
38	BD(2)C8-C9	542, 543	1.708136357	-0.256537191 Hartree
39	BD(1)C8-H13	544, 545	1.982756334	-0.492453957 Hartree
40	BD(1)C9-C10	546, 547	1.978881262	-0.617974387 Hartree
41	BD(1)C9-H12	548, 549	1.981539936	-0.499701588 Hartree
42	BD(1)C10-O11	550, 551	1.989305426	-0.804307375 Hartree
43	BD*(1)C1-C2		0.053660308	0.386578842 Hartree
44	BD*(1)C1-H18		0.004676234	0.459875400 Hartree
45	BD*(1)C1-H19		0.005886309	0.439968317 Hartree
46	BD*(1)C1-H20		0.005886309	0.439968317 Hartree
47	BD*(1)C2-C3		0.066989457	0.448275875 Hartree
48	BD*(1)C2-O17		0.009960235	0.595906998 Hartree
49	BD*(2)C2-O17		0.157762394	0.017971176 Hartree
50	BD*(1)C3-C4		0.017320281	0.594693388 Hartree
51	BD*(2)C3-C4		0.256585830	0.026029816 Hartree
52	BD*(1)C3-O11		0.031689470	0.330857813 Hartree
53	BD*(1)C4-C5		0.017972584	0.515381568 Hartree
54	BD*(1)C4-H16		0.012743100	0.472074070 Hartree
55	BD*(1)C5-C6		0.022301417	0.563504310 Hartree
56	BD*(1)C5-C10		0.031511873	0.531268056 Hartree
57	BD*(2)C5-C10		0.462492813	0.019839039 Hartree
58	BD*(1)C6-C7		0.012445919	0.584028703 Hartree
59	BD*(2)C6-C7		0.291842787	0.032762654 Hartree
60	BD*(1)C6-H15		0.012897162	0.461732958 Hartree
61	BD*(1)C7-C8		0.014625176	0.553223385 Hartree
62	BD*(1)C7-H14		0.011479537	0.468200118 Hartree
63	BD*(1)C8-C9		0.012379896	0.574747183 Hartree
64	BD*(2)C8-C9		0.318398345	0.027305817 Hartree
65	BD*(1)C8-H13		0.011196762	0.466104565 Hartree
66	BD*(1)C9-C10		0.021480500	0.568536880 Hartree
67	BD*(1)C9-H12		0.012875891	0.459094681 Hartree
68	BD*(1)C10-O11		0.027347573	0.354068314 Hartree
69	RY(1)C1	552	0.002119170	0.811665740 Hartree
70	RY(2)C1	553	0.000611642	1.022005284 Hartree
71	RY(3)C1	554	0.000330546	1.403546422 Hartree
72	RY(4)C1	555	0.000111662	1.428482324 Hartree
73	RY(5)C1	556	0.000046276	1.958156607 Hartree
74	RY(6)C1	557	0.000013605	1.814177129 Hartree
75	RY(7)C1	558	0.000012759	3.023970476 Hartree
76	RY(8)C1	559	0.000004578	1.318366662 Hartree
77	RY(9)C1	560	0.000001492	2.871371470 Hartree
78	RY(10)C1	561	0.000000634	2.039208609 Hartree
79	RY(1)C2	562	0.015437351	0.786791958 Hartree
80	RY(2)C2	563	0.005339387	1.661746427 Hartree
81	RY(3)C2	564	0.002457731	1.403739989 Hartree
82	RY(4)C2	565	0.001439324	1.662502139 Hartree
83	RY(5)C2	566	0.000753868	2.043462049 Hartree
84	RY(6)C2	567	0.000593102	1.681842251 Hartree
85	RY(7)C2	568	0.000257499	2.002392989 Hartree
86	RY(8)C2	569	0.000154895	3.392170413 Hartree
87	RY(9)C2	570	0.000043081	1.502456378 Hartree
88	RY(10)C2	571	0.000003063	2.249371984 Hartree
89	RY(1)C3	572	0.008115414	0.891476296 Hartree
90	RY(2)C3	573	0.003889217	1.463669549 Hartree
91	RY(3)C3	574	0.001435515	1.921458086 Hartree
92	RY(4)C3	575	0.001335943	1.653408732 Hartree
93	RY(5)C3	576	0.001011264	0.752765316 Hartree
94	RY(6)C3	577	0.000420878	1.860691195 Hartree
95	RY(7)C3	578	0.000405019	2.509892877 Hartree
96	RY(8)C3	579	0.000141676	1.988056273 Hartree
97	RY(9)C3	580	0.000063257	3.713926476 Hartree
98	RY(10)C3	581	0.000007739	2.353426100 Hartree
99	RY(1)C4	582	0.003505315	1.234015363 Hartree
100	RY(2)C4	583	0.002413661	0.799375037 Hartree
101	RY(3)C4	584	0.000639756	1.426090028 Hartree
102	RY(4)C4	585	0.000374257	1.128721692 Hartree
103	RY(5)C4	586	0.000193078	1.230353602 Hartree
104	RY(6)C4	587	0.000103260	2.276045541 Hartree
105	RY(7)C4	588	0.000046311	3.059459750 Hartree
106	RY(8)C4	589	0.000025657	1.785721011 Hartree
107	RY(9)C4	590	0.000017229	3.187346611 Hartree
108	RY(10)C4	591	0.000004015	2.379895824 Hartree
109	RY(1)C5	592	0.005519059	1.176683212 Hartree
110	RY(2)C5	593	0.002745097	1.403148122 Hartree
111	RY(3)C5	594	0.000857449	1.935805581 Hartree
112	RY(4)C5	595	0.000489818	1.783515374 Hartree
113	RY(5)C5	596	0.000388519	1.342855524 Hartree
114	RY(6)C5	597	0.000236069	0.797045491 Hartree
115	RY(7)C5	598	0.000091545	3.051048134 Hartree
116	RY(8)C5	599	0.000069523	2.085043428 Hartree
117	RY(9)C5	600	0.000023790	3.424552404 Hartree
118	RY(10)C5	601	0.000004645	2.406064340 Hartree
119	RY(1)C6	602	0.004103210	1.280394500 Hartree
120	RY(2)C6	603	0.001813149	0.734835780 Hartree
121	RY(3)C6	604	0.000746224	1.304276917 Hartree
122	RY(4)C6	605	0.000479594	1.276262439 Hartree
123	RY(5)C6	606	0.000175175	1.400120644 Hartree
124	RY(6)C6	607	0.000063599	2.907881321 Hartree
125	RY(7)C6	608	0.000037785	3.269879914 Hartree
126	RY(8)C6	609	0.000016007	1.777137500 Hartree
127	RY(9)C6	610	0.000013689	2.171680906 Hartree
128	RY(10)C6	611	0.000001803	2.329345799 Hartree
129	RY(1)C7	612	0.004461399	1.260147731 Hartree
130	RY(2)C7	613	0.002089485	0.718353102 Hartree
131	RY(3)C7	614	0.000641240	1.865117930 Hartree
132	RY(4)C7	615	0.000471954	0.767372144 Hartree
133	RY(5)C7	616	0.000130610	1.984406485 Hartree
134	RY(6)C7	617	0.000079185	1.794842537 Hartree
135	RY(7)C7	618	0.000035066	3.628610010 Hartree
136	RY(8)C7	619	0.000002635	2.304850463 Hartree
137	RY(9)C7	620	0.000001107	1.708877887 Hartree
138	RY(10)C7	621	0.000001607	2.330577564 Hartree
139	RY(1)C8	622	0.004794964	1.251510030 Hartree
140	RY(2)C8	623	0.001969865	0.724330226 Hartree
141	RY(3)C8	624	0.000703896	1.923776300 Hartree
142	RY(4)C8	625	0.000534772	0.701315278 Hartree
143	RY(5)C8	626	0.000126625	1.968927273 Hartree
144	RY(6)C8	627	0.000087097	1.852144769 Hartree
145	RY(7)C8	628	0.000028882	3.599072761 Hartree
146	RY(8)C8	629	0.000006430	2.197782723 Hartree
147	RY(9)C8	630	0.000003046	1.706655492 Hartree
148	RY(10)C8	631	0.000000735	2.410233816 Hartree
149	RY(1)C9	632	0.004300714	1.168431058 Hartree
150	RY(2)C9	633	0.002687196	0.792909278 Hartree
151	RY(3)C9	634	0.000765828	1.306787046 Hartree
152	RY(4)C9	635	0.000466802	1.264008495 Hartree
153	RY(5)C9	636	0.000266466	1.227224863 Hartree
154	RY(6)C9	637	0.000070654	2.720733861 Hartree
155	RY(7)C9	638	0.000048867	3.591030948 Hartree
156	RY(8)C9	639	0.000013465	2.270365447 Hartree
157	RY(9)C9	640	0.000011951	1.774795473 Hartree
158	RY(10)C9	641	0.000003009	2.297568897 Hartree
159	RY(1)C10	642	0.005357082	1.062393336 Hartree
160	RY(2)C10	643	0.003917175	1.249251474 Hartree
161	RY(3)C10	644	0.001533291	1.967954229 Hartree
162	RY(4)C10	645	0.001487702	1.665278471 Hartree
163	RY(5)C10	646	0.000968615	1.609641278 Hartree
164	RY(6)C10	647	0.000557483	0.977463518 Hartree
165	RY(7)C10	648	0.000276606	2.308527984 Hartree
166	RY(8)C10	649	0.000187480	2.194382624 Hartree
167	RY(9)C10	650	0.000023857	3.743943813 Hartree
168	RY(10)C10	651	0.000002872	2.386249918 Hartree
169	RY(1)O11	652	0.001844327	1.133561570 Hartree
170	RY(2)O11	653	0.001157208	1.040002462 Hartree
171	RY(3)O11	654	0.000729552	1.677747285 Hartree
172	RY(4)O11	655	0.000466417	1.907065523 Hartree
173	RY(5)O11	656	0.000175028	2.030845757 Hartree
174	RY(6)O11	657	0.000083273	2.252468326 Hartree
175	RY(7)O11	658	0.000031833	3.049565537 Hartree
176	RY(8)O11	659	0.000032047	1.839392875 Hartree
177	RY(9)O11	660	0.000013523	3.152335289 Hartree
178	RY(10)O11	661	0.000002406	2.602199719 Hartree
179	RY(1)H12	662	0.000940472	0.570271864 Hartree
180	RY(1)H13	663	0.000676553	0.576615803 Hartree
181	RY(1)H14	664	0.000708681	0.578123919 Hartree
182	RY(1)H15	665	0.000811219	0.567493391 Hartree
183	RY(1)H16	666	0.000749853	0.551516075 Hartree
184	RY(1)O17	667	0.001958858	1.154950413 Hartree
185	RY(2)O17	668	0.000409615	1.039848679 Hartree
186	RY(3)O17	669	0.000142899	1.756729381 Hartree
187	RY(4)O17	670	0.000036727	2.288958032 Hartree
188	RY(5)O17	671	0.000024854	2.392636036 Hartree
189	RY(6)O17	672	0.000010170	2.023367106 Hartree
190	RY(7)O17	673	0.000009120	1.812441732 Hartree
191	RY(8)O17	674	0.000001835	2.005510240 Hartree
192	RY(9)O17	675	0.000000650	2.603042765 Hartree
193	RY(10)O17	676	0.000001645	2.398775143 Hartree
194	RY(1)H18	677	0.001389669	0.651793789 Hartree
195	RY(1)H19	678	0.000743834	0.655461029 Hartree
196	RY(1)H20	679	0.000743834	0.655461029 Hartree

Quote

SATCHEL PAIGE'S GUIDE TO LONGEVITY 1. AVOID FRIED MEATS, WHICH ANGRY UP THE BLOOD. 2. IF YOUR STOMACH DISPUTES YOU, LIE DOWN AND PACIFY IT WITH COOL THOUGHTS. 3. KEEP THE JUICES FLOWING BY JANGLING AROUND GENTLY AS YOU MOVE. 4. GO VERY LIGHT ON THE VICES, SUCH AS CARRYING ON IN SOCIETY. THE SOCIAL RUMBLE AIN'T RESTFUL. 5. AVOID RUNNING AT ALL TIMES. 6. DON'T LOOK BACK. SOMETHING MAY BE GAINING ON YOU.