WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C4H10O
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-233.662359513 Hartree
Dipole Moment	1.4476 Debye
Server	batch (116113)
CPU time	15 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	7.5584333	0.25212219648
b	3.5150724	0.11725019447
c	2.6508376	0.08842242456

Atom	Symbol	Charge
1	C	-0.078790
2	C	-0.449209
3	H	0.139805
4	H	0.138789
5	H	0.146331
6	C	-0.442322
7	H	0.167681
8	H	0.136080
9	H	0.130673
10	C	-0.020272
11	O	-0.621224
12	H	0.391176
13	H	0.110823
14	H	0.114296
15	H	0.136164

Display Range		- / 95
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.13865 Hartree
2	-	2	-10.22411 Hartree
3	-	2	-10.18298 Hartree
4	-	2	-10.17254 Hartree
5	-	2	-10.16326 Hartree
6	-	2	-1.01014 Hartree
7	-	2	-0.79248 Hartree
8	-	2	-0.67638 Hartree
9	-	2	-0.66644 Hartree
10	-	2	-0.55607 Hartree
11	-	2	-0.50575 Hartree
12	-	2	-0.46551 Hartree
13	-	2	-0.43269 Hartree
14	-	2	-0.41419 Hartree
15	-	2	-0.38355 Hartree
16	-	2	-0.37392 Hartree
17	-	2	-0.35799 Hartree
18	-	2	-0.32985 Hartree
19	-	2	-0.32500 Hartree
20	-	2	-0.30982 Hartree
21	-	2	-0.26219 Hartree
22	-	0	0.07600 Hartree
23	-	0	0.09500 Hartree
24	-	0	0.13475 Hartree
25	-	0	0.15174 Hartree
26	-	0	0.16083 Hartree
27	-	0	0.16447 Hartree
28	-	0	0.17908 Hartree
29	-	0	0.18563 Hartree
30	-	0	0.19104 Hartree
31	-	0	0.21801 Hartree
32	-	0	0.23568 Hartree
33	-	0	0.24155 Hartree
34	-	0	0.25854 Hartree
35	-	0	0.27264 Hartree
36	-	0	0.51520 Hartree
37	-	0	0.52436 Hartree
38	-	0	0.53376 Hartree
39	-	0	0.54521 Hartree
40	-	0	0.56183 Hartree
41	-	0	0.64584 Hartree
42	-	0	0.67962 Hartree
43	-	0	0.69668 Hartree
44	-	0	0.71949 Hartree
45	-	0	0.73516 Hartree
46	-	0	0.76596 Hartree
47	-	0	0.82142 Hartree
48	-	0	0.85366 Hartree
49	-	0	0.86086 Hartree
50	-	0	0.87506 Hartree
51	-	0	0.89980 Hartree
52	-	0	0.90681 Hartree
53	-	0	0.91263 Hartree
54	-	0	0.93933 Hartree
55	-	0	0.94626 Hartree
56	-	0	0.96553 Hartree
57	-	0	0.98447 Hartree
58	-	0	0.99363 Hartree
59	-	0	1.02117 Hartree
60	-	0	1.07647 Hartree
61	-	0	1.23791 Hartree
62	-	0	1.33326 Hartree
63	-	0	1.41017 Hartree
64	-	0	1.43947 Hartree
65	-	0	1.45832 Hartree
66	-	0	1.57091 Hartree
67	-	0	1.62691 Hartree
68	-	0	1.73795 Hartree
69	-	0	1.75397 Hartree
70	-	0	1.76251 Hartree
71	-	0	1.79901 Hartree
72	-	0	1.91571 Hartree
73	-	0	1.92598 Hartree
74	-	0	1.97799 Hartree
75	-	0	2.00802 Hartree
76	-	0	2.05173 Hartree
77	-	0	2.06656 Hartree
78	-	0	2.11501 Hartree
79	-	0	2.21628 Hartree
80	-	0	2.24438 Hartree
81	-	0	2.26142 Hartree
82	-	0	2.27776 Hartree
83	-	0	2.37240 Hartree
84	-	0	2.45325 Hartree
85	-	0	2.48485 Hartree
86	-	0	2.51889 Hartree
87	-	0	2.54796 Hartree
88	-	0	2.70279 Hartree
89	-	0	2.76186 Hartree
90	-	0	2.89502 Hartree
91	-	0	3.77496 Hartree
92	-	0	4.16179 Hartree
93	-	0	4.29295 Hartree
94	-	0	4.33402 Hartree
95	-	0	4.57431 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.27988
2	C	-0.67756
3	H	0.22956
4	H	0.22354
5	H	0.23580
6	C	-0.67938
7	H	0.24746
8	H	0.22833
9	H	0.21915
10	C	-0.08983
11	O	-0.75840
12	H	0.47333
13	H	0.18875
14	H	0.19511
15	H	0.24401

Display Range		- / 95
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999996994	-10.182949036 Hartree
2	C1 Val(2s)	0.989711857	-0.139409175 Hartree
3	C1 Ryd(3s)	0.000856883	1.489444409 Hartree
4	C1 Ryd(4s)	0.000059468	4.402964968 Hartree
5	C1 Val(2p)	1.036174461	-0.040823002 Hartree
6	C1 Ryd(3p)	0.002541710	0.734176730 Hartree
7	C1 Val(2p)	1.043141575	-0.037491555 Hartree
8	C1 Ryd(3p)	0.001722617	0.716206932 Hartree
9	C1 Val(2p)	1.198977878	-0.064304834 Hartree
10	C1 Ryd(3p)	0.002758323	0.831754413 Hartree
11	C1 Ryd(3d)	0.000834792	2.203247266 Hartree
12	C1 Ryd(3d)	0.000495520	2.038277258 Hartree
13	C1 Ryd(3d)	0.000424477	2.017313937 Hartree
14	C1 Ryd(3d)	0.000654281	2.185703075 Hartree
15	C1 Ryd(3d)	0.001526102	2.230220588 Hartree
16	C2 Cor(1s)	1.999997166	-10.172520259 Hartree
17	C2 Val(2s)	1.102066140	-0.176422393 Hartree
18	C2 Ryd(3s)	0.000378939	1.354062649 Hartree
19	C2 Ryd(4s)	0.000024303	4.187460330 Hartree
20	C2 Val(2p)	1.138011816	-0.058233172 Hartree
21	C2 Ryd(3p)	0.001435292	0.624171619 Hartree
22	C2 Val(2p)	1.197895959	-0.067834492 Hartree
23	C2 Ryd(3p)	0.001852967	0.688666690 Hartree
24	C2 Val(2p)	1.230309178	-0.074084027 Hartree
25	C2 Ryd(3p)	0.001360611	0.670990064 Hartree
26	C2 Ryd(3d)	0.000735324	2.101127753 Hartree
27	C2 Ryd(3d)	0.000550540	1.972241464 Hartree
28	C2 Ryd(3d)	0.000492943	1.941176370 Hartree
29	C2 Ryd(3d)	0.001044340	2.074575770 Hartree
30	C2 Ryd(3d)	0.001407653	2.174579863 Hartree
31	H3 Val(1s)	0.769475128	0.102859704 Hartree
32	H3 Ryd(2s)	0.000963444	0.672253195 Hartree
33	H4 Val(1s)	0.775155502	0.098156134 Hartree
34	H4 Ryd(2s)	0.001304620	0.678716378 Hartree
35	H5 Val(1s)	0.763401261	0.107225188 Hartree
36	H5 Ryd(2s)	0.000794854	0.669523500 Hartree
37	C6 Cor(1s)	1.999997166	-10.163233174 Hartree
38	C6 Val(2s)	1.102842682	-0.167623142 Hartree
39	C6 Ryd(3s)	0.000511521	1.330321312 Hartree
40	C6 Ryd(4s)	0.000026995	4.224598081 Hartree
41	C6 Val(2p)	1.247399858	-0.066155365 Hartree
42	C6 Ryd(3p)	0.002484744	0.735861788 Hartree
43	C6 Val(2p)	1.101066199	-0.043685767 Hartree
44	C6 Ryd(3p)	0.001575742	0.601777744 Hartree
45	C6 Val(2p)	1.217810196	-0.063923176 Hartree
46	C6 Ryd(3p)	0.001445594	0.670475844 Hartree
47	C6 Ryd(3d)	0.001148690	2.103742073 Hartree
48	C6 Ryd(3d)	0.000596218	1.963444488 Hartree
49	C6 Ryd(3d)	0.000372195	1.963575878 Hartree
50	C6 Ryd(3d)	0.000658058	2.094221504 Hartree
51	C6 Ryd(3d)	0.001442416	2.184481745 Hartree
52	H7 Val(1s)	0.751265344	0.130400079 Hartree
53	H7 Ryd(2s)	0.001272201	0.692369520 Hartree
54	H8 Val(1s)	0.770859931	0.108860804 Hartree
55	H8 Ryd(2s)	0.000810066	0.677394465 Hartree
56	H9 Val(1s)	0.779596413	0.101545894 Hartree
57	H9 Ryd(2s)	0.001249689	0.688589613 Hartree
58	C10 Cor(1s)	1.999996988	-10.224085505 Hartree
59	C10 Val(2s)	1.022128027	-0.169594539 Hartree
60	C10 Ryd(3s)	0.002854482	1.246089507 Hartree
61	C10 Ryd(4s)	0.000072073	4.304661284 Hartree
62	C10 Val(2p)	0.824339064	-0.037886186 Hartree
63	C10 Ryd(3p)	0.001967727	0.640092186 Hartree
64	C10 Val(2p)	1.079241655	-0.060673280 Hartree
65	C10 Ryd(3p)	0.002901568	0.735465327 Hartree
66	C10 Val(2p)	1.147420327	-0.068610002 Hartree
67	C10 Ryd(3p)	0.001941992	0.721710514 Hartree
68	C10 Ryd(3d)	0.001427191	2.150482797 Hartree
69	C10 Ryd(3d)	0.001185922	2.038282007 Hartree
70	C10 Ryd(3d)	0.000601760	2.000596334 Hartree
71	C10 Ryd(3d)	0.001713931	2.154474912 Hartree
72	C10 Ryd(3d)	0.002035794	2.190638966 Hartree
73	O11 Cor(1s)	1.999998513	-19.138618560 Hartree
74	O11 Val(2s)	1.692081140	-0.717035907 Hartree
75	O11 Ryd(3s)	0.001235416	1.636482270 Hartree
76	O11 Ryd(4s)	0.000027706	3.649308845 Hartree
77	O11 Val(2p)	1.408397778	-0.250477474 Hartree
78	O11 Ryd(3p)	0.002089817	1.216954257 Hartree
79	O11 Val(2p)	1.792878299	-0.280393003 Hartree
80	O11 Ryd(3p)	0.001313440	1.101120628 Hartree
81	O11 Val(2p)	1.850773495	-0.280809187 Hartree
82	O11 Ryd(3p)	0.001511286	1.080860586 Hartree
83	O11 Ryd(3d)	0.001631075	2.263878590 Hartree
84	O11 Ryd(3d)	0.001233728	2.158578832 Hartree
85	O11 Ryd(3d)	0.002354925	1.989173098 Hartree
86	O11 Ryd(3d)	0.001195307	2.060871922 Hartree
87	O11 Ryd(3d)	0.001679095	1.953332024 Hartree
88	H12 Val(1s)	0.525062876	0.149610184 Hartree
89	H12 Ryd(2s)	0.001612033	0.650932122 Hartree
90	H13 Val(1s)	0.808994135	0.078421621 Hartree
91	H13 Ryd(2s)	0.002255637	0.664041059 Hartree
92	H14 Val(1s)	0.803020664	0.084769698 Hartree
93	H14 Ryd(2s)	0.001864596	0.659726488 Hartree
94	H15 Val(1s)	0.753315024	0.120068821 Hartree
95	H15 Ryd(2s)	0.002678677	0.675486753 Hartree

Display Range		- / 95
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999996994	-10.182949036 Hartree
2	CR(1)C2 s(100.00%)	1.999997166	-10.172520259 Hartree
3	CR(1)C6 s(100.00%)	1.999997166	-10.163233174 Hartree
4	CR(1)C10 s(100.00%)	1.999996988	-10.224085505 Hartree
5	CR(1)O11 s(100.00%)	1.999998513	-19.138618560 Hartree
6	LP(1)O11 s(50.54%)p0.98(49.40%)d0.00(0.06%)	1.981479669	-0.509118168 Hartree
7	LP(2)O11 s(0.12%)p99.99(99.78%)d0.86(0.10%)	1.963309356	-0.282514735 Hartree
8	BD(1)C1(C2) 1s(26.04%)p2.84(73.91%)d0.00(0.05%)	1.005940722	-0.054459755 Hartree
9	BD(1)C2(C1) 2s(29.06%)p2.44(70.89%)d0.00(0.05%)	0.988666563	-0.051874366 Hartree
10	BD(1)C1(C6) 1s(26.39%)p2.79(73.56%)d0.00(0.05%)	1.014969739	-0.055234306 Hartree
11	BD(1)C6(C1) 6s(28.68%)p2.49(71.27%)d0.00(0.05%)	0.984263326	-0.042940278 Hartree
12	BD(1)C1(C10) 1s(25.65%)p2.90(74.30%)d0.00(0.05%)	1.013517976	-0.060324363 Hartree
13	BD(1)C10(C1) 10s(29.71%)p2.36(70.23%)d0.00(0.06%)	0.993177420	-0.056341610 Hartree
14	BD(1)C1(H15) 1s(21.95%)p3.55(77.96%)d0.00(0.09%)	1.237206937	-0.096464311 Hartree
15	BD(1)H15(C1) 15s(100.00%)	0.753297183	0.122947263 Hartree
16	BD(1)C2(H3) 2s(23.76%)p3.21(76.16%)d0.00(0.09%)	1.227384674	-0.102862147 Hartree
17	BD(1)H3(C2) 3s(100.00%)	0.769474645	0.103321388 Hartree
18	BD(1)C2(H4) 2s(23.39%)p3.27(76.52%)d0.00(0.09%)	1.224954420	-0.104232709 Hartree
19	BD(1)H4(C2) 4s(100.00%)	0.775153000	0.099200633 Hartree
20	BD(1)C2(H5) 2s(23.76%)p3.21(76.16%)d0.00(0.09%)	1.231977269	-0.102326089 Hartree
21	BD(1)H5(C2) 5s(100.00%)	0.763401083	0.107507832 Hartree
22	BD(1)C6(H7) 6s(24.30%)p3.11(75.61%)d0.00(0.08%)	1.245109162	-0.093008822 Hartree
23	BD(1)H7(C6) 7s(100.00%)	0.751263753	0.131259164 Hartree
24	BD(1)C6(H8) 6s(23.72%)p3.21(76.19%)d0.00(0.09%)	1.224416672	-0.093884212 Hartree
25	BD(1)H8(C6) 8s(100.00%)	0.770859769	0.109128254 Hartree
26	BD(1)C6(H9) 6s(23.26%)p3.29(76.65%)d0.00(0.09%)	1.220038108	-0.095634584 Hartree
27	BD(1)H9(C6) 9s(100.00%)	0.779594268	0.102507844 Hartree
28	BD(1)C10(O11) 10s(20.36%)p3.90(79.45%)d0.01(0.19%)	0.666127483	-0.027784830 Hartree
29	BD(1)O11(C10) 11s(29.86%)p2.34(70.01%)d0.00(0.14%)	1.341073527	-0.371095941 Hartree
30	BD(1)C10(H13) 10s(24.84%)p3.02(75.06%)d0.00(0.10%)	1.208833754	-0.114948501 Hartree
31	BD(1)H13(C10) 13s(100.00%)	0.808964457	0.081838696 Hartree
32	BD(1)C10(H14) 10s(25.21%)p2.96(74.68%)d0.00(0.10%)	1.212399780	-0.112956740 Hartree
33	BD(1)H14(C10) 14s(100.00%)	0.802999367	0.087687293 Hartree
34	BD(1)O11(H12) 11s(19.48%)p4.12(80.34%)d0.01(0.19%)	1.469373580	-0.366523052 Hartree
35	BD(1)H12(O11) 12s(100.00%)	0.525059304	0.151370905 Hartree
36	RY(1)C1 s(5.27%)p16.68(87.93%)d1.29(6.80%)	0.003466165	1.024206235 Hartree
37	RY(2)C1 s(2.04%)p43.06(87.74%)d5.02(10.22%)	0.002155288	0.976484737 Hartree
38	RY(3)C1 s(0.02%)p99.99(90.50%)d99.99(9.48%)	0.001332385	0.880569469 Hartree
39	RY(4)C1 s(0.03%)p99.99(3.40%)d99.99(96.58%)	0.000368856	2.037190031 Hartree
40	RY(5)C1 s(2.15%)p1.54(3.32%)d43.95(94.53%)	0.000284834	1.946642117 Hartree
41	RY(6)C1 s(77.57%)p0.06(4.31%)d0.23(18.11%)	0.000249391	1.790376690 Hartree
42	RY(7)C1 s(0.74%)p5.20(3.87%)d99.99(95.38%)	0.000165340	2.106476262 Hartree
43	RY(8)C1 s(18.30%)p0.08(1.40%)d4.39(80.30%)	0.000116522	2.431394859 Hartree
44	RY(9)C1 s(25.92%)p0.55(14.15%)d2.31(59.93%)	0.000090282	2.155839808 Hartree
45	RY(10)C1 s(67.93%)p0.05(3.65%)d0.42(28.43%)	0.000015506	3.484583540 Hartree
46	RY(1)C2 s(0.00%)p1.00(89.43%)d0.12(10.57%)	0.002317708	0.907192592 Hartree
47	RY(2)C2 s(5.34%)p15.50(82.73%)d2.24(11.93%)	0.001834903	0.938924290 Hartree
48	RY(3)C2 s(73.92%)p0.15(11.40%)d0.20(14.68%)	0.000334572	1.476412634 Hartree
49	RY(4)C2 s(13.89%)p6.10(84.65%)d0.11(1.46%)	0.000057501	0.881649615 Hartree
50	RY(5)C2 s(3.57%)p2.26(8.07%)d24.76(88.36%)	0.000021227	1.806436880 Hartree
51	RY(6)C2 s(2.05%)p1.47(3.01%)d46.25(94.94%)	0.000010810	1.839394838 Hartree
52	RY(7)C2 s(5.89%)p1.34(7.89%)d14.63(86.21%)	0.000003460	1.958799857 Hartree
53	RY(8)C2 s(0.74%)p2.49(1.83%)d99.99(97.43%)	0.000001585	2.127413075 Hartree
54	RY(9)C2 s(36.68%)p0.22(7.99%)d1.51(55.34%)	0.000000787	2.670797408 Hartree
55	RY(10)C2 s(57.96%)p0.06(3.28%)d0.67(38.76%)	0.000000525	3.166752608 Hartree
56	RY(1)H3 s(100.00%)	0.000963926	0.671791510 Hartree
57	RY(1)H4 s(100.00%)	0.001307122	0.677671879 Hartree
58	RY(1)H5 s(100.00%)	0.000795032	0.669240856 Hartree
59	RY(1)C6 s(3.56%)p25.33(90.24%)d1.74(6.20%)	0.002790566	0.868051073 Hartree
60	RY(2)C6 s(5.39%)p15.67(84.47%)d1.88(10.14%)	0.002144504	0.919276641 Hartree
61	RY(3)C6 s(51.90%)p0.64(33.21%)d0.29(14.89%)	0.000435412	1.273832398 Hartree
62	RY(4)C6 s(32.18%)p1.78(57.28%)d0.33(10.54%)	0.000120439	1.152527935 Hartree
63	RY(5)C6 s(0.62%)p26.87(16.67%)d99.99(82.71%)	0.000037880	1.802532017 Hartree
64	RY(6)C6 s(7.50%)p0.96(7.20%)d11.37(85.29%)	0.000011861	1.837924711 Hartree
65	RY(7)C6 s(2.34%)p0.91(2.14%)d40.76(95.52%)	0.000008059	1.978243925 Hartree
66	RY(8)C6 s(17.67%)p0.08(1.34%)d4.58(80.98%)	0.000003513	2.488093514 Hartree
67	RY(9)C6 s(78.30%)p0.03(2.11%)d0.25(19.60%)	0.000000982	3.458940291 Hartree
68	RY(10)C6 s(0.57%)p9.91(5.61%)d99.99(93.82%)	0.000000625	2.077158400 Hartree
69	RY(1)H7 s(100.00%)	0.001273793	0.691510435 Hartree
70	RY(1)H8 s(100.00%)	0.000810228	0.677127014 Hartree
71	RY(1)H9 s(100.00%)	0.001251834	0.687627662 Hartree
72	RY(1)C10 s(19.41%)p3.70(71.82%)d0.45(8.76%)	0.003040450	0.959012922 Hartree
73	RY(2)C10 s(0.90%)p94.99(85.80%)d14.72(13.29%)	0.002122476	0.941715272 Hartree
74	RY(3)C10 s(32.25%)p0.95(30.55%)d1.15(37.20%)	0.001772090	1.437077921 Hartree
75	RY(4)C10 s(1.15%)p2.35(2.71%)d83.52(96.14%)	0.001518196	2.059875084 Hartree
76	RY(5)C10 s(13.90%)p0.19(2.69%)d6.00(83.40%)	0.000477168	2.074609305 Hartree
77	RY(6)C10 s(28.83%)p0.24(6.83%)d2.23(64.34%)	0.000236077	2.144458986 Hartree
78	RY(7)C10 s(12.24%)p6.73(82.39%)d0.44(5.37%)	0.000110026	0.831943942 Hartree
79	RY(8)C10 s(5.33%)p1.66(8.85%)d16.11(85.82%)	0.000012208	1.854654281 Hartree
80	RY(9)C10 s(5.17%)p1.10(5.68%)d17.24(89.15%)	0.000003676	2.072378256 Hartree
81	RY(10)C10 s(80.68%)p0.04(3.25%)d0.20(16.07%)	0.000000707	3.782035539 Hartree
82	RY(1)O11 s(0.10%)p99.99(95.70%)d39.96(4.19%)	0.001642913	1.037515470 Hartree
83	RY(2)O11 s(16.81%)p4.21(70.81%)d0.74(12.38%)	0.001376442	1.281395248 Hartree
84	RY(3)O11 s(57.76%)p0.69(39.57%)d0.05(2.67%)	0.000117848	1.782435378 Hartree
85	RY(4)O11 s(4.99%)p1.42(7.07%)d17.63(87.95%)	0.000011877	1.795468275 Hartree
86	RY(5)O11 s(36.74%)p1.07(39.13%)d0.66(24.13%)	0.000007690	2.223192277 Hartree
87	RY(6)O11 s(3.72%)p4.88(18.13%)d21.03(78.16%)	0.000005029	1.832203508 Hartree
88	RY(7)O11 s(58.00%)p0.20(11.73%)d0.52(30.27%)	0.000002702	2.760602633 Hartree
89	RY(8)O11 s(3.53%)p1.42(5.00%)d25.95(91.47%)	0.000000959	2.099069329 Hartree
90	RY(9)O11 s(14.58%)p0.54(7.88%)d5.32(77.55%)	0.000000487	2.206043831 Hartree
91	RY(10)O11 s(3.79%)p1.44(5.46%)d23.92(90.74%)	0.000000425	2.093171431 Hartree
92	RY(1)H12 s(100.00%)	0.001615605	0.649171401 Hartree
93	RY(1)H13 s(100.00%)	0.002285316	0.660623985 Hartree
94	RY(1)H14 s(100.00%)	0.001885893	0.656808894 Hartree
95	RY(1)H15 s(100.00%)	0.002696517	0.672608312 Hartree

Display Range		- / 95
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	1504	1.999996994	-10.182949036 Hartree
2	CR(1)C2	1505	1.999997166	-10.172520259 Hartree
3	CR(1)C6	1506	1.999997166	-10.163233174 Hartree
4	CR(1)C10	1507	1.999996988	-10.224085505 Hartree
5	CR(1)O11	1508	1.999998513	-19.138618560 Hartree
6	LP(1)O11	1509	1.981479669	-0.509118168 Hartree
7	LP(2)O11	1510	1.963309356	-0.282514735 Hartree
8	BD(1)C1-C2	1511, 1512	1.982170041	-0.501020923 Hartree
9	BD(1)C1-C6	1513, 1514	1.983760328	-0.495857406 Hartree
10	BD(1)C1-C10	1515, 1516	1.980069372	-0.512160282 Hartree
11	BD(1)C1-H15	1517, 1518	1.969628287	-0.442196759 Hartree
12	BD(1)C2-H3	1519, 1520	1.990722832	-0.458210251 Hartree
13	BD(1)C2-H4	1521, 1522	1.991181625	-0.457382808 Hartree
14	BD(1)C2-H5	1523, 1524	1.989906574	-0.456979475 Hartree
15	BD(1)C6-H7	1525, 1526	1.989783694	-0.445989163 Hartree
16	BD(1)C6-H8	1527, 1528	1.989854623	-0.450179979 Hartree
17	BD(1)C6-H9	1529, 1530	1.990992376	-0.449512898 Hartree
18	BD(1)C10-O11	1531, 1532	1.995358188	-0.706562230 Hartree
19	BD(1)C10-H13	1533, 1534	1.989402456	-0.472630296 Hartree
20	BD(1)C10-H14	1535, 1536	1.989281320	-0.472228816 Hartree
21	BD(1)O11-H12	1537, 1538	1.989586007	-0.652288251 Hartree
22	BD*(1)C1-C2		0.012437244	0.394686803 Hartree
23	BD*(1)C1-C6		0.015472737	0.397682822 Hartree
24	BD*(1)C1-C10		0.026626024	0.395494310 Hartree
25	BD*(1)C1-H15		0.020875833	0.468679711 Hartree
26	BD*(1)C2-H3		0.006136488	0.458669493 Hartree
27	BD*(1)C2-H4		0.008925795	0.452350733 Hartree
28	BD*(1)C2-H5		0.005471777	0.462161218 Hartree
29	BD*(1)C6-H7		0.006589220	0.484239505 Hartree
30	BD*(1)C6-H8		0.005421818	0.465424021 Hartree
31	BD*(1)C6-H9		0.008640000	0.456386158 Hartree
32	BD*(1)C10-O11		0.011842822	0.307681458 Hartree
33	BD*(1)C10-H13		0.028395754	0.439520491 Hartree
34	BD*(1)C10-H14		0.026117827	0.446959369 Hartree
35	BD*(1)O11-H12		0.004846877	0.437136104 Hartree
36	RY(1)C1	1539	0.003466165	1.024206235 Hartree
37	RY(2)C1	1540	0.002155288	0.976484737 Hartree
38	RY(3)C1	1541	0.001332385	0.880569469 Hartree
39	RY(4)C1	1542	0.000368856	2.037190031 Hartree
40	RY(5)C1	1543	0.000284834	1.946642117 Hartree
41	RY(6)C1	1544	0.000249391	1.790376690 Hartree
42	RY(7)C1	1545	0.000165340	2.106476262 Hartree
43	RY(8)C1	1546	0.000116522	2.431394859 Hartree
44	RY(9)C1	1547	0.000090282	2.155839808 Hartree
45	RY(10)C1	1548	0.000015506	3.484583540 Hartree
46	RY(1)C2	1549	0.002317708	0.907192592 Hartree
47	RY(2)C2	1550	0.001834903	0.938924290 Hartree
48	RY(3)C2	1551	0.000334572	1.476412634 Hartree
49	RY(4)C2	1552	0.000057501	0.881649615 Hartree
50	RY(5)C2	1553	0.000021227	1.806436880 Hartree
51	RY(6)C2	1554	0.000010810	1.839394838 Hartree
52	RY(7)C2	1555	0.000003460	1.958799857 Hartree
53	RY(8)C2	1556	0.000001585	2.127413075 Hartree
54	RY(9)C2	1557	0.000000787	2.670797408 Hartree
55	RY(10)C2	1558	0.000000525	3.166752608 Hartree
56	RY(1)H3	1559	0.000963926	0.671791510 Hartree
57	RY(1)H4	1560	0.001307122	0.677671879 Hartree
58	RY(1)H5	1561	0.000795032	0.669240856 Hartree
59	RY(1)C6	1562	0.002790566	0.868051073 Hartree
60	RY(2)C6	1563	0.002144504	0.919276641 Hartree
61	RY(3)C6	1564	0.000435412	1.273832398 Hartree
62	RY(4)C6	1565	0.000120439	1.152527935 Hartree
63	RY(5)C6	1566	0.000037880	1.802532017 Hartree
64	RY(6)C6	1567	0.000011861	1.837924711 Hartree
65	RY(7)C6	1568	0.000008059	1.978243925 Hartree
66	RY(8)C6	1569	0.000003513	2.488093514 Hartree
67	RY(9)C6	1570	0.000000982	3.458940291 Hartree
68	RY(10)C6	1571	0.000000625	2.077158400 Hartree
69	RY(1)H7	1572	0.001273793	0.691510435 Hartree
70	RY(1)H8	1573	0.000810228	0.677127014 Hartree
71	RY(1)H9	1574	0.001251834	0.687627662 Hartree
72	RY(1)C10	1575	0.003040450	0.959012922 Hartree
73	RY(2)C10	1576	0.002122476	0.941715272 Hartree
74	RY(3)C10	1577	0.001772090	1.437077921 Hartree
75	RY(4)C10	1578	0.001518196	2.059875084 Hartree
76	RY(5)C10	1579	0.000477168	2.074609305 Hartree
77	RY(6)C10	1580	0.000236077	2.144458986 Hartree
78	RY(7)C10	1581	0.000110026	0.831943942 Hartree
79	RY(8)C10	1582	0.000012208	1.854654281 Hartree
80	RY(9)C10	1583	0.000003676	2.072378256 Hartree
81	RY(10)C10	1584	0.000000707	3.782035539 Hartree
82	RY(1)O11	1585	0.001642913	1.037515470 Hartree
83	RY(2)O11	1586	0.001376442	1.281395248 Hartree
84	RY(3)O11	1587	0.000117848	1.782435378 Hartree
85	RY(4)O11	1588	0.000011877	1.795468275 Hartree
86	RY(5)O11	1589	0.000007690	2.223192277 Hartree
87	RY(6)O11	1590	0.000005029	1.832203508 Hartree
88	RY(7)O11	1591	0.000002702	2.760602633 Hartree
89	RY(8)O11	1592	0.000000959	2.099069329 Hartree
90	RY(9)O11	1593	0.000000487	2.206043831 Hartree
91	RY(10)O11	1594	0.000000425	2.093171431 Hartree
92	RY(1)H12	1595	0.001615605	0.649171401 Hartree
93	RY(1)H13	1596	0.002285316	0.660623985 Hartree
94	RY(1)H14	1597	0.001885893	0.656808894 Hartree
95	RY(1)H15	1598	0.002696517	0.672608312 Hartree

CHARLIE BROWN -- WHICH DO YOU THINK LASTS LONGER IN LIFE, THE GOOD THINGS OR THE BAD THINGS? LINUS -- GOOD THINGS LAST EIGHT SECONDS .. BAD THINGS LAST THREE WEEKS CHARLIE BROWN -- WHAT ABOUT IN BETWEEN? SNOOPY -- IN BETWEEN YOU SHOULD TAKE A NAP ...