WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C7H11(1+)
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-273.071515491 Hartree
Dipole Moment	1.7651 Debye
Server	batch (294466)
CPU time	37.6 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	6.6894513	0.22313607703
b	1.2621221	0.04209986163
c	1.0758614	0.03588687344

Atom	Symbol	Charge
1	C	-0.528980
2	C	-0.063223
3	C	0.176346
4	C	-0.543344
5	H	0.192009
6	H	0.213740
7	H	0.210426
8	C	-0.100383
9	C	-0.076053
10	C	-0.256080
11	H	0.237935
12	H	0.222309
13	H	0.207175
14	H	0.205298
15	H	0.213574
16	H	0.238366
17	H	0.238493
18	H	0.212393

Display Range		- / 127
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-10.42935 Hartree
2	-	2	-10.42583 Hartree
3	-	2	-10.40411 Hartree
4	-	2	-10.39878 Hartree
5	-	2	-10.38731 Hartree
6	-	2	-10.35540 Hartree
7	-	2	-10.34536 Hartree
8	-	2	-1.03531 Hartree
9	-	2	-0.98211 Hartree
10	-	2	-0.91963 Hartree
11	-	2	-0.87222 Hartree
12	-	2	-0.82911 Hartree
13	-	2	-0.74946 Hartree
14	-	2	-0.72142 Hartree
15	-	2	-0.68289 Hartree
16	-	2	-0.64746 Hartree
17	-	2	-0.60978 Hartree
18	-	2	-0.59968 Hartree
19	-	2	-0.58738 Hartree
20	-	2	-0.56992 Hartree
21	-	2	-0.56208 Hartree
22	-	2	-0.55494 Hartree
23	-	2	-0.53698 Hartree
24	-	2	-0.53466 Hartree
25	-	2	-0.51620 Hartree
26	-	2	-0.44214 Hartree
27	-	0	-0.30412 Hartree
28	-	0	-0.17712 Hartree
29	-	0	-0.10644 Hartree
30	-	0	-0.07220 Hartree
31	-	0	-0.05904 Hartree
32	-	0	-0.03962 Hartree
33	-	0	-0.02493 Hartree
34	-	0	-0.00788 Hartree
35	-	0	0.00914 Hartree
36	-	0	0.01264 Hartree
37	-	0	0.02244 Hartree
38	-	0	0.03299 Hartree
39	-	0	0.04079 Hartree
40	-	0	0.04291 Hartree
41	-	0	0.08249 Hartree
42	-	0	0.10490 Hartree
43	-	0	0.15221 Hartree
44	-	0	0.17785 Hartree
45	-	0	0.21939 Hartree
46	-	0	0.24186 Hartree
47	-	0	0.29652 Hartree
48	-	0	0.32242 Hartree
49	-	0	0.32687 Hartree
50	-	0	0.37050 Hartree
51	-	0	0.37134 Hartree
52	-	0	0.40107 Hartree
53	-	0	0.40424 Hartree
54	-	0	0.40804 Hartree
55	-	0	0.42073 Hartree
56	-	0	0.44382 Hartree
57	-	0	0.48378 Hartree
58	-	0	0.50018 Hartree
59	-	0	0.52080 Hartree
60	-	0	0.53103 Hartree
61	-	0	0.55288 Hartree
62	-	0	0.56147 Hartree
63	-	0	0.59069 Hartree
64	-	0	0.62035 Hartree
65	-	0	0.65051 Hartree
66	-	0	0.67717 Hartree
67	-	0	0.69512 Hartree
68	-	0	0.71025 Hartree
69	-	0	0.73038 Hartree
70	-	0	0.73704 Hartree
71	-	0	0.74398 Hartree
72	-	0	0.75929 Hartree
73	-	0	0.77301 Hartree
74	-	0	0.80200 Hartree
75	-	0	0.81291 Hartree
76	-	0	0.84033 Hartree
77	-	0	0.86219 Hartree
78	-	0	0.89918 Hartree
79	-	0	0.96310 Hartree
80	-	0	0.99715 Hartree
81	-	0	1.06496 Hartree
82	-	0	1.09962 Hartree
83	-	0	1.10969 Hartree
84	-	0	1.15193 Hartree
85	-	0	1.21002 Hartree
86	-	0	1.22388 Hartree
87	-	0	1.26552 Hartree
88	-	0	1.32653 Hartree
89	-	0	1.34802 Hartree
90	-	0	1.36387 Hartree
91	-	0	1.50425 Hartree
92	-	0	1.56208 Hartree
93	-	0	1.62987 Hartree
94	-	0	1.65855 Hartree
95	-	0	1.69059 Hartree
96	-	0	1.69404 Hartree
97	-	0	1.74147 Hartree
98	-	0	1.76527 Hartree
99	-	0	1.81567 Hartree
100	-	0	1.83097 Hartree
101	-	0	1.88193 Hartree
102	-	0	1.90767 Hartree
103	-	0	1.91948 Hartree
104	-	0	2.04088 Hartree
105	-	0	2.05020 Hartree
106	-	0	2.07739 Hartree
107	-	0	2.10206 Hartree
108	-	0	2.10859 Hartree
109	-	0	2.17906 Hartree
110	-	0	2.19259 Hartree
111	-	0	2.23878 Hartree
112	-	0	2.26005 Hartree
113	-	0	2.31257 Hartree
114	-	0	2.32539 Hartree
115	-	0	2.35974 Hartree
116	-	0	2.53500 Hartree
117	-	0	2.58852 Hartree
118	-	0	2.63871 Hartree
119	-	0	2.86045 Hartree
120	-	0	2.90548 Hartree
121	-	0	3.87366 Hartree
122	-	0	3.90806 Hartree
123	-	0	3.94619 Hartree
124	-	0	4.05877 Hartree
125	-	0	4.10567 Hartree
126	-	0	4.17467 Hartree
127	-	0	4.40008 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.75907
2	C	0.07672
3	C	-0.09350
4	C	-0.72021
5	H	0.25910
6	H	0.27731
7	H	0.27506
8	C	0.01144
9	C	-0.30531
10	C	-0.17406
11	H	0.25913
12	H	0.23921
13	H	0.26920
14	H	0.25432
15	H	0.25057
16	H	0.30503
17	H	0.30501
18	H	0.27006

Display Range		- / 127
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999994292	-10.355368979 Hartree
2	C1 Val(2s)	1.122444363	-0.366641022 Hartree
3	C1 Ryd(3s)	0.000575623	1.139801646 Hartree
4	C1 Ryd(4s)	0.000011935	4.049652428 Hartree
5	C1 Val(2p)	1.084827900	-0.231344437 Hartree
6	C1 Ryd(3p)	0.001661298	0.381851250 Hartree
7	C1 Val(2p)	1.284816308	-0.261410472 Hartree
8	C1 Ryd(3p)	0.003214437	0.521154906 Hartree
9	C1 Val(2p)	1.256959166	-0.269963259 Hartree
10	C1 Ryd(3p)	0.000479389	0.457019885 Hartree
11	C1 Ryd(3d)	0.000408717	1.812122727 Hartree
12	C1 Ryd(3d)	0.000450819	1.796172983 Hartree
13	C1 Ryd(3d)	0.001114554	1.802034368 Hartree
14	C1 Ryd(3d)	0.001158470	2.065747529 Hartree
15	C1 Ryd(3d)	0.000950791	1.910683709 Hartree
16	C2 Cor(1s)	1.999996552	-10.425803358 Hartree
17	C2 Val(2s)	1.008964626	-0.333192365 Hartree
18	C2 Ryd(3s)	0.000797804	0.853371488 Hartree
19	C2 Ryd(4s)	0.000070474	3.985711755 Hartree
20	C2 Val(2p)	1.052736080	-0.200324699 Hartree
21	C2 Ryd(3p)	0.002879228	0.644464822 Hartree
22	C2 Val(2p)	1.179006691	-0.240222486 Hartree
23	C2 Ryd(3p)	0.003224304	0.753492552 Hartree
24	C2 Val(2p)	0.670804126	-0.301211754 Hartree
25	C2 Ryd(3p)	0.000761945	0.425057693 Hartree
26	C2 Ryd(3d)	0.001112567	2.099522182 Hartree
27	C2 Ryd(3d)	0.000786421	1.710448690 Hartree
28	C2 Ryd(3d)	0.000224873	1.589385423 Hartree
29	C2 Ryd(3d)	0.001181059	2.160903303 Hartree
30	C2 Ryd(3d)	0.000734382	1.973318436 Hartree
31	C3 Cor(1s)	1.999996573	-10.398756952 Hartree
32	C3 Val(2s)	0.912142453	-0.274946599 Hartree
33	C3 Ryd(3s)	0.000430464	0.810358629 Hartree
34	C3 Ryd(4s)	0.000083935	4.092879324 Hartree
35	C3 Val(2p)	1.072116572	-0.208275003 Hartree
36	C3 Ryd(3p)	0.003771365	0.727918077 Hartree
37	C3 Val(2p)	1.101842116	-0.216303131 Hartree
38	C3 Ryd(3p)	0.004361299	0.953286054 Hartree
39	C3 Val(2p)	0.994048816	-0.294002054 Hartree
40	C3 Ryd(3p)	0.001340799	0.499158990 Hartree
41	C3 Ryd(3d)	0.001047237	2.265292612 Hartree
42	C3 Ryd(3d)	0.000186546	1.727442093 Hartree
43	C3 Ryd(3d)	0.000910502	1.721569105 Hartree
44	C3 Ryd(3d)	0.000703256	2.202388175 Hartree
45	C3 Ryd(3d)	0.000519837	2.078600044 Hartree
46	C4 Cor(1s)	1.999994250	-10.345324761 Hartree
47	C4 Val(2s)	1.106621196	-0.345685156 Hartree
48	C4 Ryd(3s)	0.000244813	1.183335221 Hartree
49	C4 Ryd(4s)	0.000015794	4.067889516 Hartree
50	C4 Val(2p)	1.272291283	-0.252709943 Hartree
51	C4 Ryd(3p)	0.002514194	0.548212495 Hartree
52	C4 Val(2p)	1.059510868	-0.212318596 Hartree
53	C4 Ryd(3p)	0.001556742	0.401063528 Hartree
54	C4 Val(2p)	1.272876622	-0.252159675 Hartree
55	C4 Ryd(3p)	0.000566821	0.489242019 Hartree
56	C4 Ryd(3d)	0.000697656	1.982067573 Hartree
57	C4 Ryd(3d)	0.001218061	1.928820766 Hartree
58	C4 Ryd(3d)	0.000327852	1.694796781 Hartree
59	C4 Ryd(3d)	0.000759355	1.983452692 Hartree
60	C4 Ryd(3d)	0.001017211	1.944110310 Hartree
61	H5 Val(1s)	0.740421568	-0.040450150 Hartree
62	H5 Ryd(2s)	0.000481246	0.575245745 Hartree
63	H6 Val(1s)	0.722177352	-0.040786651 Hartree
64	H6 Ryd(2s)	0.000512986	0.524826039 Hartree
65	H7 Val(1s)	0.724438092	-0.040964031 Hartree
66	H7 Ryd(2s)	0.000501590	0.536828214 Hartree
67	C8 Cor(1s)	1.999996581	-10.429320492 Hartree
68	C8 Val(2s)	0.997826646	-0.321728943 Hartree
69	C8 Ryd(3s)	0.000973821	0.906996678 Hartree
70	C8 Ryd(4s)	0.000065820	3.917219281 Hartree
71	C8 Val(2p)	1.052391414	-0.198524185 Hartree
72	C8 Ryd(3p)	0.002971811	0.634223497 Hartree
73	C8 Val(2p)	1.199611422	-0.259435522 Hartree
74	C8 Ryd(3p)	0.005434273	0.914341211 Hartree
75	C8 Val(2p)	0.725237850	-0.308210343 Hartree
76	C8 Ryd(3p)	0.000084490	0.423243777 Hartree
77	C8 Ryd(3d)	0.000882215	2.139861147 Hartree
78	C8 Ryd(3d)	0.000929967	1.726628963 Hartree
79	C8 Ryd(3d)	0.000155820	1.560958662 Hartree
80	C8 Ryd(3d)	0.001272504	2.210494946 Hartree
81	C8 Ryd(3d)	0.000729091	1.994829868 Hartree
82	C9 Cor(1s)	1.999996324	-10.387293442 Hartree
83	C9 Val(2s)	0.995029522	-0.305852216 Hartree
84	C9 Ryd(3s)	0.001117229	0.908918527 Hartree
85	C9 Ryd(4s)	0.000050493	3.904094466 Hartree
86	C9 Val(2p)	1.062090530	-0.199180761 Hartree
87	C9 Ryd(3p)	0.004367963	0.556835317 Hartree
88	C9 Val(2p)	1.226703361	-0.242235313 Hartree
89	C9 Ryd(3p)	0.004486544	0.879919232 Hartree
90	C9 Val(2p)	1.007242875	-0.297797050 Hartree
91	C9 Ryd(3p)	0.000693553	0.437655256 Hartree
92	C9 Ryd(3d)	0.000913969	2.204905437 Hartree
93	C9 Ryd(3d)	0.000257675	1.745002924 Hartree
94	C9 Ryd(3d)	0.000533023	1.603734974 Hartree
95	C9 Ryd(3d)	0.001069847	2.167604885 Hartree
96	C9 Ryd(3d)	0.000752790	2.029126882 Hartree
97	C10 Cor(1s)	1.999996442	-10.404079587 Hartree
98	C10 Val(2s)	1.103704245	-0.361978058 Hartree
99	C10 Ryd(3s)	0.000652769	0.966596152 Hartree
100	C10 Ryd(4s)	0.000021577	3.734936559 Hartree
101	C10 Val(2p)	1.146616577	-0.209994350 Hartree
102	C10 Ryd(3p)	0.002971357	0.504753886 Hartree
103	C10 Val(2p)	1.195545372	-0.230240781 Hartree
104	C10 Ryd(3p)	0.003600901	0.658469317 Hartree
105	C10 Val(2p)	0.716231851	-0.297653452 Hartree
106	C10 Ryd(3p)	0.000551816	0.397109476 Hartree
107	C10 Ryd(3d)	0.001136636	2.065456506 Hartree
108	C10 Ryd(3d)	0.000596138	1.635961027 Hartree
109	C10 Ryd(3d)	0.000148645	1.541143278 Hartree
110	C10 Ryd(3d)	0.001327768	2.060597990 Hartree
111	C10 Ryd(3d)	0.000956434	1.915582386 Hartree
112	H11 Val(1s)	0.740506461	-0.054585640 Hartree
113	H11 Ryd(2s)	0.000359971	0.442664590 Hartree
114	H12 Val(1s)	0.760079440	-0.074219105 Hartree
115	H12 Ryd(2s)	0.000713971	0.460741634 Hartree
116	H13 Val(1s)	0.730096857	-0.048279421 Hartree
117	H13 Ryd(2s)	0.000706826	0.488090286 Hartree
118	H14 Val(1s)	0.744264540	-0.086324158 Hartree
119	H14 Ryd(2s)	0.001415595	0.456950126 Hartree
120	H15 Val(1s)	0.748122065	-0.077721573 Hartree
121	H15 Ryd(2s)	0.001309096	0.449610224 Hartree
122	H16 Val(1s)	0.694466476	-0.052949897 Hartree
123	H16 Ryd(2s)	0.000499653	0.507758201 Hartree
124	H17 Val(1s)	0.694488537	-0.053070061 Hartree
125	H17 Ryd(2s)	0.000505493	0.507813707 Hartree
126	H18 Val(1s)	0.729405248	-0.040289756 Hartree
127	H18 Ryd(2s)	0.000535303	0.555115469 Hartree

Display Range		- / 127
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999994292	-10.355368979 Hartree
2	CR(1)C2 s(100.00%)	1.999996552	-10.425803358 Hartree
3	CR(1)C3 s(100.00%)	1.999996573	-10.398756952 Hartree
4	CR(1)C4 s(100.00%)	1.999994250	-10.345324761 Hartree
5	CR(1)C8 s(100.00%)	1.999996581	-10.429320492 Hartree
6	CR(1)C9 s(100.00%)	1.999996324	-10.387293442 Hartree
7	CR(1)C10 s(100.00%)	1.999996442	-10.404079587 Hartree
8	BD(1)C1(C2) 1s(28.01%)p2.57(71.92%)d0.00(0.07%)	0.977647397	-0.225586033 Hartree
9	BD(1)C2(C1) 2s(34.56%)p1.89(65.38%)d0.00(0.05%)	1.019348609	-0.246408838 Hartree
10	BD(1)C1(H16) 1s(23.04%)p3.34(76.88%)d0.00(0.08%)	1.255385075	-0.296015528 Hartree
11	BD(1)H16(C1) 16s(100.00%)	0.694466211	-0.052589434 Hartree
12	BD(1)C1(H17) 1s(23.03%)p3.34(76.89%)d0.00(0.08%)	1.255300854	-0.296126508 Hartree
13	BD(1)H17(C1) 17s(100.00%)	0.694488254	-0.052697701 Hartree
14	BD(1)C1(H18) 1s(25.96%)p2.85(73.96%)d0.00(0.08%)	1.266744002	-0.290267187 Hartree
15	BD(1)H18(C1) 18s(100.00%)	0.729405127	-0.040048932 Hartree
16	BD(1)C2(C3) 2s(37.14%)p1.69(62.79%)d0.00(0.07%)	0.978601763	-0.194287314 Hartree
17	BD(1)C3(C2) 3s(33.65%)p1.97(66.29%)d0.00(0.06%)	1.024129277	-0.215000538 Hartree
18	BD(2)C2(C3) 2s(0.00%)p1.00(99.91%)d0.00(0.09%)	0.671010109	-0.300124587 Hartree
19	BD(2)C3(C2) 3s(0.00%)p1.00(99.94%)d0.00(0.06%)	0.994573301	-0.294156601 Hartree
20	BD(1)C2(H15) 2s(28.26%)p2.54(71.65%)d0.00(0.09%)	1.246528904	-0.317224821 Hartree
21	BD(1)H15(C2) 15s(100.00%)	0.748114995	-0.076029527 Hartree
22	BD(1)C3(C4) 3s(33.21%)p2.01(66.76%)d0.00(0.04%)	1.055515496	-0.260528434 Hartree
23	BD(1)C4(C3) 4s(27.26%)p2.67(72.67%)d0.00(0.07%)	0.946577927	-0.211700865 Hartree
24	BD(1)C3(C8) 3s(33.10%)p2.02(66.84%)d0.00(0.06%)	1.008312802	-0.216224404 Hartree
25	BD(1)C8(C3) 8s(36.68%)p1.72(63.26%)d0.00(0.07%)	0.992682779	-0.211730443 Hartree
26	BD(1)C4(H5) 4s(24.73%)p3.04(75.19%)d0.00(0.08%)	1.251781800	-0.274002076 Hartree
27	BD(1)H5(C4) 5s(100.00%)	0.740421547	-0.040548883 Hartree
28	BD(1)C4(H6) 4s(23.92%)p3.18(76.00%)d0.00(0.08%)	1.259364637	-0.279497986 Hartree
29	BD(1)H6(C4) 6s(100.00%)	0.722177191	-0.040507367 Hartree
30	BD(1)C4(H7) 4s(24.06%)p3.15(75.86%)d0.00(0.08%)	1.259058951	-0.278858555 Hartree
31	BD(1)H7(C4) 7s(100.00%)	0.724438019	-0.040774867 Hartree
32	BD(1)C8(C9) 8s(35.32%)p1.83(64.62%)d0.00(0.06%)	1.011025020	-0.226892567 Hartree
33	BD(1)C9(C8) 9s(33.50%)p1.98(66.43%)d0.00(0.07%)	0.989512536	-0.213139968 Hartree
34	BD(1)C8(H14) 8s(27.98%)p2.57(71.93%)d0.00(0.09%)	1.249347026	-0.325541345 Hartree
35	BD(1)H14(C8) 14s(100.00%)	0.744256749	-0.084576553 Hartree
36	BD(1)C9(C10) 9s(36.23%)p1.76(63.70%)d0.00(0.07%)	1.032167941	-0.204988469 Hartree
37	BD(1)C10(C9) 10s(38.43%)p1.60(61.48%)d0.00(0.09%)	0.963723073	-0.168259501 Hartree
38	BD(2)C9(C10) 9s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.008061328	-0.298897681 Hartree
39	BD(2)C10(C9) 10s(0.00%)p1.00(99.89%)d0.00(0.11%)	0.717241340	-0.297981524 Hartree
40	BD(1)C9(H13) 9s(30.24%)p2.30(69.69%)d0.00(0.07%)	1.267061966	-0.310277828 Hartree
41	BD(1)H13(C9) 13s(100.00%)	0.730092874	-0.046993697 Hartree
42	BD(1)C10(H11) 10s(30.94%)p2.23(68.97%)d0.00(0.09%)	1.252394789	-0.303843180 Hartree
43	BD(1)H11(C10) 11s(100.00%)	0.740505777	-0.054043899 Hartree
44	BD(1)C10(H12) 10s(30.59%)p2.27(69.31%)d0.00(0.10%)	1.235740157	-0.305442419 Hartree
45	BD(1)H12(C10) 12s(100.00%)	0.760076688	-0.073156899 Hartree
46	RY(1)C1 s(0.29%)p99.99(94.94%)d16.53(4.77%)	0.725344654	-0.307232564 Hartree
47	RY(2)C1 s(0.00%)p1.00(65.57%)d0.53(34.43%)	0.002857468	0.607641225 Hartree
48	RY(3)C1 s(17.50%)p4.65(81.32%)d0.07(1.18%)	0.000600597	0.980234654 Hartree
49	RY(4)C1 s(28.84%)p0.09(2.50%)d2.38(68.66%)	0.000485965	0.532643240 Hartree
50	RY(5)C1 s(72.52%)p0.17(12.56%)d0.21(14.92%)	0.000032788	2.571243635 Hartree
51	RY(6)C1 s(0.64%)p41.36(26.43%)d99.99(72.93%)	0.000010438	1.137170248 Hartree
52	RY(7)C1 s(0.66%)p12.01(7.93%)d99.99(91.41%)	0.000003598	1.360506968 Hartree
53	RY(8)C1 s(38.00%)p0.07(2.83%)d1.56(59.17%)	0.000002882	1.729770530 Hartree
54	RY(9)C1 s(15.38%)p0.38(5.90%)d5.12(78.73%)	0.000001776	2.543360996 Hartree
55	RY(10)C1 s(26.14%)p0.01(0.38%)d2.81(73.48%)	0.000000362	2.038251656 Hartree
56	RY(1)C2 s(3.61%)p24.64(88.97%)d2.06(7.42%)	0.000000570	2.414054346 Hartree
57	RY(2)C2 s(0.00%)p1.00(53.14%)d0.88(46.86%)	0.004817699	0.986008773 Hartree
58	RY(3)C2 s(0.74%)p99.99(78.39%)d28.19(20.87%)	0.001399236	1.037034124 Hartree
59	RY(4)C2 s(68.51%)p0.06(4.01%)d0.40(27.48%)	0.001064963	0.894253109 Hartree
60	RY(5)C2 s(29.57%)p0.64(18.89%)d1.74(51.55%)	0.000263028	1.331045526 Hartree
61	RY(6)C2 s(1.54%)p28.79(44.20%)d35.35(54.26%)	0.000113968	1.904538289 Hartree
62	RY(7)C2 s(23.19%)p0.34(7.92%)d2.97(68.89%)	0.000093454	1.163754143 Hartree
63	RY(8)C2 s(0.49%)p2.84(1.40%)d99.99(98.11%)	0.000027748	1.921405113 Hartree
64	RY(9)C2 s(69.66%)p0.04(3.02%)d0.39(27.32%)	0.000010900	1.576810065 Hartree
65	RY(10)C2 s(2.72%)p0.13(0.35%)d35.63(96.93%)	0.000003336	3.283222310 Hartree
66	RY(1)C3 s(0.06%)p99.99(94.18%)d98.52(5.76%)	0.000000862	2.080699146 Hartree
67	RY(2)C3 s(0.19%)p99.99(94.86%)d25.47(4.94%)	0.004574303	1.067052926 Hartree
68	RY(3)C3 s(0.11%)p99.99(78.19%)d99.99(21.69%)	0.003748270	0.835883594 Hartree
69	RY(4)C3 s(68.68%)p0.02(1.65%)d0.43(29.67%)	0.001650995	0.767350555 Hartree
70	RY(5)C3 s(1.27%)p3.51(4.44%)d74.40(94.29%)	0.000345760	1.194314507 Hartree
71	RY(6)C3 s(0.04%)p99.99(5.32%)d99.99(94.64%)	0.000263967	2.146120752 Hartree
72	RY(7)C3 s(78.09%)p0.02(1.40%)d0.26(20.51%)	0.000206808	1.672509397 Hartree
73	RY(8)C3 s(0.02%)p99.99(16.44%)d99.99(83.54%)	0.000119772	3.266245706 Hartree
74	RY(9)C3 s(46.69%)p0.07(3.34%)d1.07(49.97%)	0.000056877	1.524969224 Hartree
75	RY(10)C3 s(4.90%)p0.07(0.34%)d19.34(94.76%)	0.000006665	2.356916738 Hartree
76	RY(1)C4 s(0.08%)p99.99(94.95%)d59.28(4.97%)	0.000000904	2.239912891 Hartree
77	RY(2)C4 s(0.05%)p99.99(68.61%)d99.99(31.34%)	0.002267888	0.647431588 Hartree
78	RY(3)C4 s(19.30%)p4.12(79.42%)d0.07(1.28%)	0.000801717	0.948561007 Hartree
79	RY(4)C4 s(56.41%)p0.23(13.15%)d0.54(30.44%)	0.000303445	0.554439105 Hartree
80	RY(5)C4 s(29.71%)p0.23(6.92%)d2.13(63.37%)	0.000030338	1.918071244 Hartree
81	RY(6)C4 s(25.04%)p0.25(6.16%)d2.75(68.80%)	0.000010862	1.682454500 Hartree
82	RY(7)C4 s(15.21%)p0.62(9.41%)d4.96(75.38%)	0.000007069	2.325197102 Hartree
83	RY(8)C4 s(36.37%)p0.16(5.77%)d1.59(57.86%)	0.000007391	2.038871818 Hartree
84	RY(9)C4 s(0.51%)p25.88(13.31%)d99.99(86.18%)	0.000005600	2.255408499 Hartree
85	RY(10)C4 s(17.35%)p0.15(2.58%)d4.62(80.07%)	0.000000061	1.560599839 Hartree
86	RY(1)H5 s(100.00%)	0.000000781	2.273142312 Hartree
87	RY(1)H6 s(100.00%)	0.000481267	0.575344477 Hartree
88	RY(1)H7 s(100.00%)	0.000513146	0.524546755 Hartree
89	RY(1)C8 s(5.48%)p16.20(88.81%)d1.04(5.71%)	0.000501664	0.536639050 Hartree
90	RY(2)C8 s(0.03%)p99.99(93.82%)d99.99(6.15%)	0.005942472	0.991947198 Hartree
91	RY(3)C8 s(0.00%)p1.00(0.38%)d99.99(99.62%)	0.002973358	0.768995940 Hartree
92	RY(4)C8 s(84.10%)p0.12(9.89%)d0.07(6.01%)	0.000920749	1.720789837 Hartree
93	RY(5)C8 s(34.77%)p0.16(5.55%)d1.72(59.68%)	0.000126779	1.030896726 Hartree
94	RY(6)C8 s(5.42%)p15.77(85.44%)d1.69(9.14%)	0.000088536	2.548159942 Hartree
95	RY(7)C8 s(13.07%)p0.47(6.17%)d6.18(80.76%)	0.000078441	0.539795206 Hartree
96	RY(8)C8 s(52.76%)p0.03(1.77%)d0.86(45.46%)	0.000029441	2.084100850 Hartree
97	RY(9)C8 s(0.72%)p11.23(8.04%)d99.99(91.24%)	0.000005882	3.157919274 Hartree
98	RY(10)C8 s(3.67%)p0.09(0.34%)d26.17(95.99%)	0.000000784	1.520255415 Hartree
99	RY(1)C9 s(1.01%)p90.61(91.97%)d6.92(7.02%)	0.000001223	2.049435569 Hartree
100	RY(2)C9 s(0.21%)p99.99(96.73%)d14.65(3.06%)	0.004623816	0.999819567 Hartree
101	RY(3)C9 s(0.02%)p99.99(66.55%)d99.99(33.43%)	0.002860528	0.631117583 Hartree
102	RY(4)C9 s(78.90%)p0.05(3.92%)d0.22(17.18%)	0.000627134	0.873573862 Hartree
103	RY(5)C9 s(0.04%)p90.25(3.68%)d99.99(96.28%)	0.000245065	1.583918609 Hartree
104	RY(6)C9 s(76.18%)p0.01(0.48%)d0.31(23.34%)	0.000093982	2.102578530 Hartree
105	RY(7)C9 s(0.41%)p68.65(28.25%)d99.99(71.34%)	0.000045836	2.320976171 Hartree
106	RY(8)C9 s(41.68%)p0.09(3.57%)d1.31(54.75%)	0.000003992	1.383207399 Hartree
107	RY(9)C9 s(0.03%)p99.99(4.76%)d99.99(95.21%)	0.000004545	2.859816033 Hartree
108	RY(10)C9 s(1.54%)p0.21(0.33%)d63.59(98.13%)	0.000000257	1.560541776 Hartree
109	RY(1)C10 s(1.33%)p69.24(92.25%)d4.82(6.42%)	0.000000449	2.104486978 Hartree
110	RY(2)C10 s(13.79%)p6.02(82.99%)d0.23(3.22%)	0.004166495	0.916177544 Hartree
111	RY(3)C10 s(0.00%)p1.00(90.01%)d0.11(9.98%)	0.000554967	0.558485431 Hartree
112	RY(4)C10 s(59.74%)p0.01(0.47%)d0.67(39.79%)	0.000197315	0.501853696 Hartree
113	RY(5)C10 s(43.51%)p0.42(18.33%)d0.88(38.16%)	0.000034044	1.829076466 Hartree
114	RY(6)C10 s(21.20%)p0.14(3.03%)d3.57(75.76%)	0.000005888	1.773681328 Hartree
115	RY(7)C10 s(40.51%)p0.06(2.38%)d1.41(57.11%)	0.000002962	1.795278404 Hartree
116	RY(8)C10 s(1.35%)p6.65(8.98%)d66.40(89.67%)	0.000000621	2.721444817 Hartree
117	RY(9)C10 s(0.02%)p35.97(0.85%)d99.99(99.13%)	0.000000101	1.633002298 Hartree
118	RY(10)C10 s(18.57%)p0.06(1.06%)d4.33(80.36%)	0.000000002	1.478253870 Hartree
119	RY(1)H11 s(100.00%)	0.000000331	2.249012705 Hartree
120	RY(1)H12 s(100.00%)	0.000360655	0.442122848 Hartree
121	RY(1)H13 s(100.00%)	0.000716723	0.459679428 Hartree
122	RY(1)H14 s(100.00%)	0.000710809	0.486804562 Hartree
123	RY(1)H15 s(100.00%)	0.001423386	0.455202521 Hartree
124	RY(1)H16 s(100.00%)	0.001316167	0.447918178 Hartree
125	RY(1)H17 s(100.00%)	0.000499919	0.507397738 Hartree
126	RY(1)H18 s(100.00%)	0.000505776	0.507441347 Hartree
127		0.000535424	0.554874645 Hartree

Display Range		- / 127
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	1608	1.999994292	-10.355368979 Hartree
2	CR(1)C2	1609	1.999996552	-10.425803358 Hartree
3	CR(1)C3	1610	1.999996573	-10.398756952 Hartree
4	CR(1)C4	1611	1.999994250	-10.345324761 Hartree
5	CR(1)C8	1612	1.999996581	-10.429320492 Hartree
6	CR(1)C9	1613	1.999996324	-10.387293442 Hartree
7	CR(1)C10	1614	1.999996442	-10.404079587 Hartree
8	BD(1)C1-C2	1615, 1616	1.990549011	-0.746486746 Hartree
9	BD(1)C1-H16	1617, 1618	1.944164227	-0.631406453 Hartree
10	BD(1)C1-H17	1619, 1620	1.944009810	-0.631414096 Hartree
11	BD(1)C1-H18	1621, 1622	1.989693231	-0.639510373 Hartree
12	BD(1)C2-C3	1623, 1624	1.982775100	-0.799183354 Hartree
13	BD(2)C2-C3	1625, 1626	1.553369506	-0.437932629 Hartree
14	BD(1)C2-H15	1627, 1628	1.981140218	-0.682683225 Hartree
15	BD(1)C3-C4	1629, 1630	1.982273803	-0.714035198 Hartree
16	BD(1)C3-C8	1631, 1632	1.981390718	-0.793100622 Hartree
17	BD(1)C4-H5	1633, 1634	1.988141684	-0.629748921 Hartree
18	BD(1)C4-H6	1635, 1636	1.975650559	-0.623294750 Hartree
19	BD(1)C4-H7	1637, 1638	1.978218810	-0.624077541 Hartree
20	BD(1)C8-C9	1639, 1640	1.984539103	-0.786375911 Hartree
21	BD(1)C8-H14	1641, 1642	1.979753375	-0.687291222 Hartree
22	BD(1)C9-C10	1643, 1644	1.990467852	-0.805925751 Hartree
23	BD(2)C9-C10	1645, 1646	1.695656744	-0.446361088 Hartree
24	BD(1)C9-H13	1647, 1648	1.979358575	-0.669565445 Hartree
25	BD(1)C10-H11	1649, 1650	1.988582795	-0.674319955 Hartree
26	BD(1)C10-H12	1651, 1652	1.988580086	-0.679239756 Hartree
27	LV(1)C8	1651, 1652	0.725344654	-0.307232564 Hartree
28	BD*(1)C1-C2		0.006446994	0.274491875 Hartree
29	BD*(1)C1-H16		0.005687059	0.282801491 Hartree
30	BD*(1)C1-H17		0.005779298	0.282589887 Hartree
31	BD*(1)C1-H18		0.006455898	0.309194253 Hartree
32	BD*(1)C2-C3		0.019955940	0.389895502 Hartree
33	BD*(2)C2-C3		0.112213905	-0.156348559 Hartree
34	BD*(1)C2-H15		0.013503681	0.289428877 Hartree
35	BD*(1)C3-C4		0.019819620	0.241805899 Hartree
36	BD*(1)C3-C8		0.019604863	0.365145775 Hartree
37	BD*(1)C4-H5		0.004061663	0.315197962 Hartree
38	BD*(1)C4-H6		0.005891269	0.303289397 Hartree
39	BD*(1)C4-H7		0.005278160	0.304444119 Hartree
40	BD*(1)C8-C9		0.015998453	0.346343376 Hartree
41	BD*(1)C8-H14		0.013850400	0.277173324 Hartree
42	BD*(1)C9-C10		0.005423162	0.432677781 Hartree
43	BD*(2)C9-C10		0.029645924	-0.150518117 Hartree
44	BD*(1)C9-H13		0.017796265	0.312293920 Hartree
45	BD*(1)C10-H11		0.004317772	0.316432876 Hartree
46	BD*(1)C10-H12		0.007236758	0.300640437 Hartree
47	RY(1)C1	1653	0.002857468	0.607641225 Hartree
48	RY(2)C1	1654	0.000600597	0.980234654 Hartree
49	RY(3)C1	1655	0.000485965	0.532643240 Hartree
50	RY(4)C1	1656	0.000032788	2.571243635 Hartree
51	RY(5)C1	1657	0.000010438	1.137170248 Hartree
52	RY(6)C1	1658	0.000003598	1.360506968 Hartree
53	RY(7)C1	1659	0.000002882	1.729770530 Hartree
54	RY(8)C1	1660	0.000001776	2.543360996 Hartree
55	RY(9)C1	1661	0.000000362	2.038251656 Hartree
56	RY(10)C1	1662	0.000000570	2.414054346 Hartree
57	RY(1)C2	1663	0.004817699	0.986008773 Hartree
58	RY(2)C2	1664	0.001399236	1.037034124 Hartree
59	RY(3)C2	1665	0.001064963	0.894253109 Hartree
60	RY(4)C2	1666	0.000263028	1.331045526 Hartree
61	RY(5)C2	1667	0.000113968	1.904538289 Hartree
62	RY(6)C2	1668	0.000093454	1.163754143 Hartree
63	RY(7)C2	1669	0.000027748	1.921405113 Hartree
64	RY(8)C2	1670	0.000010900	1.576810065 Hartree
65	RY(9)C2	1671	0.000003336	3.283222310 Hartree
66	RY(10)C2	1672	0.000000862	2.080699146 Hartree
67	RY(1)C3	1673	0.004574303	1.067052926 Hartree
68	RY(2)C3	1674	0.003748270	0.835883594 Hartree
69	RY(3)C3	1675	0.001650995	0.767350555 Hartree
70	RY(4)C3	1676	0.000345760	1.194314507 Hartree
71	RY(5)C3	1677	0.000263967	2.146120752 Hartree
72	RY(6)C3	1678	0.000206808	1.672509397 Hartree
73	RY(7)C3	1679	0.000119772	3.266245706 Hartree
74	RY(8)C3	1680	0.000056877	1.524969224 Hartree
75	RY(9)C3	1681	0.000006665	2.356916738 Hartree
76	RY(10)C3	1682	0.000000904	2.239912891 Hartree
77	RY(1)C4	1683	0.002267888	0.647431588 Hartree
78	RY(2)C4	1684	0.000801717	0.948561007 Hartree
79	RY(3)C4	1685	0.000303445	0.554439105 Hartree
80	RY(4)C4	1686	0.000030338	1.918071244 Hartree
81	RY(5)C4	1687	0.000010862	1.682454500 Hartree
82	RY(6)C4	1688	0.000007069	2.325197102 Hartree
83	RY(7)C4	1689	0.000007391	2.038871818 Hartree
84	RY(8)C4	1690	0.000005600	2.255408499 Hartree
85	RY(9)C4	1691	0.000000061	1.560599839 Hartree
86	RY(10)C4	1692	0.000000781	2.273142312 Hartree
87	RY(1)H5	1693	0.000481267	0.575344477 Hartree
88	RY(1)H6	1694	0.000513146	0.524546755 Hartree
89	RY(1)H7	1695	0.000501664	0.536639050 Hartree
90	RY(1)C8	1696	0.005942472	0.991947198 Hartree
91	RY(2)C8	1697	0.002973358	0.768995940 Hartree
92	RY(3)C8	1698	0.000920749	1.720789837 Hartree
93	RY(4)C8	1699	0.000126779	1.030896726 Hartree
94	RY(5)C8	1700	0.000088536	2.548159942 Hartree
95	RY(6)C8	1701	0.000078441	0.539795206 Hartree
96	RY(7)C8	1702	0.000029441	2.084100850 Hartree
97	RY(8)C8	1703	0.000005882	3.157919274 Hartree
98	RY(9)C8	1704	0.000000784	1.520255415 Hartree
99	RY(10)C8	1705	0.000001223	2.049435569 Hartree
100	RY(1)C9	1706	0.004623816	0.999819567 Hartree
101	RY(2)C9	1707	0.002860528	0.631117583 Hartree
102	RY(3)C9	1708	0.000627134	0.873573862 Hartree
103	RY(4)C9	1709	0.000245065	1.583918609 Hartree
104	RY(5)C9	1710	0.000093982	2.102578530 Hartree
105	RY(6)C9	1711	0.000045836	2.320976171 Hartree
106	RY(7)C9	1712	0.000003992	1.383207399 Hartree
107	RY(8)C9	1713	0.000004545	2.859816033 Hartree
108	RY(9)C9	1714	0.000000257	1.560541776 Hartree
109	RY(10)C9	1715	0.000000449	2.104486978 Hartree
110	RY(1)C10	1716	0.004166495	0.916177544 Hartree
111	RY(2)C10	1717	0.000554967	0.558485431 Hartree
112	RY(3)C10	1718	0.000197315	0.501853696 Hartree
113	RY(4)C10	1719	0.000034044	1.829076466 Hartree
114	RY(5)C10	1720	0.000005888	1.773681328 Hartree
115	RY(6)C10	1721	0.000002962	1.795278404 Hartree
116	RY(7)C10	1722	0.000000621	2.721444817 Hartree
117	RY(8)C10	1723	0.000000101	1.633002298 Hartree
118	RY(9)C10	1724	0.000000002	1.478253870 Hartree
119	RY(10)C10	1725	0.000000331	2.249012705 Hartree
120	RY(1)H11	1726	0.000360655	0.442122848 Hartree
121	RY(1)H12	1727	0.000716723	0.459679428 Hartree
122	RY(1)H13	1728	0.000710809	0.486804562 Hartree
123	RY(1)H14	1729	0.001423386	0.455202521 Hartree
124	RY(1)H15	1730	0.001316167	0.447918178 Hartree
125	RY(1)H16	1731	0.000499919	0.507397738 Hartree
126	RY(1)H17	1732	0.000505776	0.507441347 Hartree
127	RY(1)H18	1733	0.000535424	0.554874645 Hartree

CHINESE FORTUNE COOKIE OF JAN 1 1967 SAY.... ALL THINGS ARE DIFFICULT BEFORE THEY ARE EASY. WE LEARN SO LITTLE AND FORGET SO MUCH. YOU WILL OVERCOME OBSTACLES TO ACHIEVE SUCCESS. AH SO.