WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C6H6
Symmetry	D6H
Basis	6-31G(d)
RB3LYP Energy	-232.247291919 Hartree
Dipole Moment	0.0000 Debye
Server	batch (332020)
CPU time	2.9 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	5.8005666	0.19348607496
b	5.8005666	0.19348607496
c	2.9002833	0.09674303748

Atom	Symbol	Charge
1	C	-0.126549
2	C	-0.126549
3	C	-0.126549
4	C	-0.126549
5	C	-0.126549
6	C	-0.126549
7	H	0.126549
8	H	0.126549
9	H	0.126549
10	H	0.126549
11	H	0.126549
12	H	0.126549

Display Range		- / 102
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1G	2	-10.18307 Hartree
2	E1U	2	-10.18277 Hartree
3	E1U	2	-10.18277 Hartree
4	E2G	2	-10.18216 Hartree
5	E2G	2	-10.18216 Hartree
6	B1U	2	-10.18187 Hartree
7	A1G	2	-0.85318 Hartree
8	E1U	2	-0.74346 Hartree
9	E1U	2	-0.74346 Hartree
10	E2G	2	-0.59962 Hartree
11	E2G	2	-0.59962 Hartree
12	A1G	2	-0.52304 Hartree
13	B1U	2	-0.45786 Hartree
14	B2U	2	-0.44170 Hartree
15	E1U	2	-0.41890 Hartree
16	E1U	2	-0.41890 Hartree
17	A2U	2	-0.36389 Hartree
18	E2G	2	-0.34001 Hartree
19	E2G	2	-0.34001 Hartree
20	E1G	2	-0.24791 Hartree
21	E1G	2	-0.24791 Hartree
22	E2U	0	0.00689 Hartree
23	E2U	0	0.00689 Hartree
24	A1G	0	0.09224 Hartree
25	E1U	0	0.14639 Hartree
26	E1U	0	0.14639 Hartree
27	B2G	0	0.17143 Hartree
28	E2G	0	0.18596 Hartree
29	E2G	0	0.18596 Hartree
30	B1U	0	0.19522 Hartree
31	E2G	0	0.30872 Hartree
32	E2G	0	0.30872 Hartree
33	E1U	0	0.32689 Hartree
34	E1U	0	0.32689 Hartree
35	B2U	0	0.47126 Hartree
36	A2U	0	0.52618 Hartree
37	A1G	0	0.55435 Hartree
38	B1U	0	0.56583 Hartree
39	A2G	0	0.57736 Hartree
40	A1G	0	0.59258 Hartree
41	E1G	0	0.60063 Hartree
42	E1G	0	0.60063 Hartree
43	E2G	0	0.60980 Hartree
44	E2G	0	0.60980 Hartree
45	E1U	0	0.62953 Hartree
46	E1U	0	0.62953 Hartree
47	E2U	0	0.66910 Hartree
48	E2U	0	0.66910 Hartree
49	B2G	0	0.74793 Hartree
50	E2G	0	0.84404 Hartree
51	E2G	0	0.84404 Hartree
52	B1U	0	0.85027 Hartree
53	E1U	0	0.86518 Hartree
54	E1U	0	0.86518 Hartree
55	A1G	0	0.94489 Hartree
56	E1U	0	0.94552 Hartree
57	E1U	0	0.94552 Hartree
58	A2G	0	0.97031 Hartree
59	E2G	0	1.08697 Hartree
60	E2G	0	1.08697 Hartree
61	E1U	0	1.15177 Hartree
62	E1U	0	1.15177 Hartree
63	B1U	0	1.21358 Hartree
64	B1G	0	1.26236 Hartree
65	A2U	0	1.39022 Hartree
66	E2G	0	1.44645 Hartree
67	E2G	0	1.44645 Hartree
68	E2U	0	1.49231 Hartree
69	E2U	0	1.49231 Hartree
70	E1G	0	1.51703 Hartree
71	E1G	0	1.51703 Hartree
72	A1G	0	1.75916 Hartree
73	B2U	0	1.80232 Hartree
74	A1G	0	1.86847 Hartree
75	B1U	0	1.91467 Hartree
76	E1U	0	1.98798 Hartree
77	E1U	0	1.98798 Hartree
78	E2G	0	2.08971 Hartree
79	E2G	0	2.08971 Hartree
80	E2U	0	2.16231 Hartree
81	E2U	0	2.16231 Hartree
82	E1U	0	2.17532 Hartree
83	E1U	0	2.17532 Hartree
84	E1G	0	2.32410 Hartree
85	E1G	0	2.32410 Hartree
86	B2G	0	2.34085 Hartree
87	E2G	0	2.55623 Hartree
88	E2G	0	2.55623 Hartree
89	A1U	0	2.68553 Hartree
90	E2G	0	2.73856 Hartree
91	E2G	0	2.73856 Hartree
92	E1U	0	2.73867 Hartree
93	E1U	0	2.73867 Hartree
94	B1U	0	2.76991 Hartree
95	A2G	0	3.03446 Hartree
96	B1U	0	3.45841 Hartree
97	A1G	0	4.10295 Hartree
98	E1U	0	4.12332 Hartree
99	E1U	0	4.12332 Hartree
100	E2G	0	4.33543 Hartree
101	E2G	0	4.33543 Hartree
102	B1U	0	4.68038 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.23316
2	C	-0.23316
3	C	-0.23316
4	C	-0.23316
5	C	-0.23316
6	C	-0.23316
7	H	0.23316
8	H	0.23316
9	H	0.23316
10	H	0.23316
11	H	0.23316
12	H	0.23316

Display Range		- / 102
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999077581	-10.031776075 Hartree
2	C1 Val(2S)	0.954467968	-0.153224481 Hartree
3	C1 Ryd(3S)	0.000572563	1.288572897 Hartree
4	C1 Ryd(4S)	0.000037439	3.922962786 Hartree
5	C1 Val(2p)	1.068687496	-0.025371352 Hartree
6	C1 Ryd(3p)	0.004528752	0.700291069 Hartree
7	C1 Val(2p)	1.198564493	-0.045023706 Hartree
8	C1 Ryd(3p)	0.005301158	1.136488463 Hartree
9	C1 Val(2p)	0.998504336	-0.094417271 Hartree
10	C1 Ryd(3p)	0.000635522	0.625993271 Hartree
11	C1 Ryd(3d)	0.000614470	2.413776659 Hartree
12	C1 Ryd(3d)	0.000529928	1.962601201 Hartree
13	C1 Ryd(3d)	0.000330215	1.807415524 Hartree
14	C1 Ryd(3d)	0.000882645	2.401827229 Hartree
15	C1 Ryd(3d)	0.000424787	2.292559432 Hartree
16	C2 Cor(1S)	1.999077581	-10.031776075 Hartree
17	C2 Val(2S)	0.954467968	-0.153224481 Hartree
18	C2 Ryd(3S)	0.000572563	1.288572897 Hartree
19	C2 Ryd(4S)	0.000037439	3.922962786 Hartree
20	C2 Val(2p)	1.166095244	-0.040110617 Hartree
21	C2 Ryd(3p)	0.005108057	1.027439115 Hartree
22	C2 Val(2p)	1.101156746	-0.030284441 Hartree
23	C2 Ryd(3p)	0.004721853	0.809340417 Hartree
24	C2 Val(2p)	0.998504336	-0.094417271 Hartree
25	C2 Ryd(3p)	0.000635522	0.625993271 Hartree
26	C2 Ryd(3d)	0.000815601	2.404814586 Hartree
27	C2 Ryd(3d)	0.000380143	1.846211943 Hartree
28	C2 Ryd(3d)	0.000479999	1.923804782 Hartree
29	C2 Ryd(3d)	0.000681514	2.410789302 Hartree
30	C2 Ryd(3d)	0.000424787	2.292559432 Hartree
31	C3 Cor(1S)	1.999077581	-10.031776075 Hartree
32	C3 Val(2S)	0.954467968	-0.153224481 Hartree
33	C3 Ryd(3S)	0.000572563	1.288572897 Hartree
34	C3 Ryd(4S)	0.000037439	3.922962786 Hartree
35	C3 Val(2p)	1.166095244	-0.040110617 Hartree
36	C3 Ryd(3p)	0.005108057	1.027439115 Hartree
37	C3 Val(2p)	1.101156746	-0.030284441 Hartree
38	C3 Ryd(3p)	0.004721853	0.809340417 Hartree
39	C3 Val(2p)	0.998504336	-0.094417271 Hartree
40	C3 Ryd(3p)	0.000635522	0.625993271 Hartree
41	C3 Ryd(3d)	0.000815601	2.404814586 Hartree
42	C3 Ryd(3d)	0.000380143	1.846211943 Hartree
43	C3 Ryd(3d)	0.000479999	1.923804782 Hartree
44	C3 Ryd(3d)	0.000681514	2.410789302 Hartree
45	C3 Ryd(3d)	0.000424787	2.292559432 Hartree
46	C4 Cor(1S)	1.999077581	-10.031776075 Hartree
47	C4 Val(2S)	0.954467968	-0.153224481 Hartree
48	C4 Ryd(3S)	0.000572563	1.288572897 Hartree
49	C4 Ryd(4S)	0.000037439	3.922962786 Hartree
50	C4 Val(2p)	1.068687496	-0.025371352 Hartree
51	C4 Ryd(3p)	0.004528752	0.700291069 Hartree
52	C4 Val(2p)	1.198564493	-0.045023706 Hartree
53	C4 Ryd(3p)	0.005301158	1.136488463 Hartree
54	C4 Val(2p)	0.998504336	-0.094417271 Hartree
55	C4 Ryd(3p)	0.000635522	0.625993271 Hartree
56	C4 Ryd(3d)	0.000614470	2.413776659 Hartree
57	C4 Ryd(3d)	0.000529928	1.962601201 Hartree
58	C4 Ryd(3d)	0.000330215	1.807415524 Hartree
59	C4 Ryd(3d)	0.000882645	2.401827229 Hartree
60	C4 Ryd(3d)	0.000424787	2.292559432 Hartree
61	C5 Cor(1S)	1.999077581	-10.031776075 Hartree
62	C5 Val(2S)	0.954467968	-0.153224481 Hartree
63	C5 Ryd(3S)	0.000572563	1.288572897 Hartree
64	C5 Ryd(4S)	0.000037439	3.922962786 Hartree
65	C5 Val(2p)	1.166095244	-0.040110617 Hartree
66	C5 Ryd(3p)	0.005108057	1.027439115 Hartree
67	C5 Val(2p)	1.101156746	-0.030284441 Hartree
68	C5 Ryd(3p)	0.004721853	0.809340417 Hartree
69	C5 Val(2p)	0.998504336	-0.094417271 Hartree
70	C5 Ryd(3p)	0.000635522	0.625993271 Hartree
71	C5 Ryd(3d)	0.000815601	2.404814586 Hartree
72	C5 Ryd(3d)	0.000380143	1.846211943 Hartree
73	C5 Ryd(3d)	0.000479999	1.923804782 Hartree
74	C5 Ryd(3d)	0.000681514	2.410789302 Hartree
75	C5 Ryd(3d)	0.000424787	2.292559432 Hartree
76	C6 Cor(1S)	1.999077581	-10.031776075 Hartree
77	C6 Val(2S)	0.954467968	-0.153224481 Hartree
78	C6 Ryd(3S)	0.000572563	1.288572897 Hartree
79	C6 Ryd(4S)	0.000037439	3.922962786 Hartree
80	C6 Val(2p)	1.166095244	-0.040110617 Hartree
81	C6 Ryd(3p)	0.005108057	1.027439115 Hartree
82	C6 Val(2p)	1.101156746	-0.030284441 Hartree
83	C6 Ryd(3p)	0.004721853	0.809340417 Hartree
84	C6 Val(2p)	0.998504336	-0.094417271 Hartree
85	C6 Ryd(3p)	0.000635522	0.625993271 Hartree
86	C6 Ryd(3d)	0.000815601	2.404814586 Hartree
87	C6 Ryd(3d)	0.000380143	1.846211943 Hartree
88	C6 Ryd(3d)	0.000479999	1.923804782 Hartree
89	C6 Ryd(3d)	0.000681514	2.410789302 Hartree
90	C6 Ryd(3d)	0.000424787	2.292559432 Hartree
91	H7 Val(1S)	0.765927266	0.103310145 Hartree
92	H7 Ryd(2S)	0.000913381	0.567102293 Hartree
93	H8 Val(1S)	0.765927266	0.103310145 Hartree
94	H8 Ryd(2S)	0.000913381	0.567102293 Hartree
95	H9 Val(1S)	0.765927266	0.103310145 Hartree
96	H9 Ryd(2S)	0.000913381	0.567102293 Hartree
97	H10 Val(1S)	0.765927266	0.103310145 Hartree
98	H10 Ryd(2S)	0.000913381	0.567102293 Hartree
99	H11 Val(1S)	0.765927266	0.103310145 Hartree
100	H11 Ryd(2S)	0.000913381	0.567102293 Hartree
101	H12 Val(1S)	0.765927266	0.103310145 Hartree
102	H12 Ryd(2S)	0.000913381	0.567102293 Hartree

Display Range		- / 102
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
2	BD(1)C2(C1) 2s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
3	BD(2)C1(C2) 1s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998938094	-0.095049946 Hartree
4	BD(2)C2(C1) 2s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998938094	-0.095049946 Hartree
5	BD(1)C1(C6) 1s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
6	BD(1)C6(C1) 6s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
7	BD(1)C1(H12) 1s(29.34%)p2.41(70.60%)d0.00(0.05%)	1.229386054	-0.125919158 Hartree
8	BD(1)H12(C1) 12s(100.00%)	0.765925689	0.104083968 Hartree
9	BD(1)C2(C3) 2s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
10	BD(1)C3(C2) 3s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
11	BD(1)C2(H11) 2s(29.34%)p2.41(70.60%)d0.00(0.05%)	1.229386054	-0.125919158 Hartree
12	BD(1)H11(C2) 11s(100.00%)	0.765925689	0.104083968 Hartree
13	BD(1)C3(C4) 3s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
14	BD(1)C4(C3) 4s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
15	BD(2)C3(C4) 3s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998938094	-0.095049946 Hartree
16	BD(2)C4(C3) 4s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998938094	-0.095049946 Hartree
17	BD(1)C3(H10) 3s(29.34%)p2.41(70.60%)d0.00(0.05%)	1.229386054	-0.125919158 Hartree
18	BD(1)H10(C3) 10s(100.00%)	0.765925689	0.104083968 Hartree
19	BD(1)C4(C5) 4s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
20	BD(1)C5(C4) 5s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
21	BD(1)C4(H9) 4s(29.34%)p2.41(70.60%)d0.00(0.05%)	1.229386054	-0.125919158 Hartree
22	BD(1)H9(C4) 9s(100.00%)	0.765925689	0.104083968 Hartree
23	BD(1)C5(C6) 5s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
24	BD(1)C6(C5) 6s(35.31%)p1.83(64.65%)d0.00(0.04%)	0.998262827	-0.039258138 Hartree
25	BD(2)C5(C6) 5s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998938094	-0.095049946 Hartree
26	BD(2)C6(C5) 6s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.998938094	-0.095049946 Hartree
27	BD(1)C5(H8) 5s(29.34%)p2.41(70.60%)d0.00(0.05%)	1.229386054	-0.125919158 Hartree
28	BD(1)H8(C5) 8s(100.00%)	0.765925689	0.104083968 Hartree
29	BD(1)C6(H7) 6s(29.34%)p2.41(70.60%)d0.00(0.05%)	1.229386054	-0.125919158 Hartree
30	BD(1)H7(C6) 7s(100.00%)	0.765925689	0.104083968 Hartree
31	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999080960	-10.032159307 Hartree
32	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999080960	-10.032159307 Hartree
33	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999080960	-10.032159307 Hartree
34	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999080960	-10.032159307 Hartree
35	CR(1)C5 s(100.00%)p0.00(0.00%)	1.999080960	-10.032159307 Hartree
36	CR(1)C6 s(100.00%)p0.00(0.00%)	1.999080960	-10.032159307 Hartree
37	RY*(1)C1 s(0.45%)p99.99(91.94%)d16.98(7.61%)	0.004901903	1.287879289 Hartree
38	RY*(2)C1 s(0.00%)p1.00(98.40%)d0.02(1.60%)	0.002841429	0.718014084 Hartree
39	RY*(3)C1 s(0.00%)p1.00(1.92%)d51.06(98.08%)	0.000629479	1.935725359 Hartree
40	RY*(4)C1 s(0.00%)p1.00(87.04%)d0.15(12.96%)	0.000432427	0.756074793 Hartree
41	RY*(5)C1 s(97.15%)p0.00(0.08%)d0.03(2.77%)	0.000245970	1.123874024 Hartree
42	RY*(6)C1 s(0.00%)p1.00(1.64%)d59.80(98.36%)	0.000107844	2.381385362 Hartree
43	RY*(7)C1 s(54.57%)p0.00(0.16%)d0.83(45.27%)	0.000050361	3.451371587 Hartree
44	RY*(8)C1 s(12.35%)p0.58(7.22%)d6.51(80.43%)	0.000012526	2.318801134 Hartree
45	RY*(9)C1 s(0.00%)p1.00(11.08%)d8.03(88.92%)	0.000000000	1.704842518 Hartree
46	RY*(10)C1 s(35.51%)p0.02(0.66%)d1.80(63.83%)	0.000006650	2.856352183 Hartree
47	RY*(1)C2 s(0.45%)p99.99(91.94%)d16.98(7.61%)	0.004901903	1.287879289 Hartree
48	RY*(2)C2 s(0.00%)p1.00(98.40%)d0.02(1.60%)	0.002841429	0.718014084 Hartree
49	RY*(3)C2 s(0.00%)p1.00(1.92%)d51.06(98.08%)	0.000629479	1.935725359 Hartree
50	RY*(4)C2 s(0.00%)p1.00(87.04%)d0.15(12.96%)	0.000432427	0.756074793 Hartree
51	RY*(5)C2 s(97.15%)p0.00(0.08%)d0.03(2.77%)	0.000245970	1.123874024 Hartree
52	RY*(6)C2 s(0.00%)p1.00(1.64%)d59.80(98.36%)	0.000107844	2.381385362 Hartree
53	RY*(7)C2 s(54.57%)p0.00(0.16%)d0.83(45.27%)	0.000050361	3.451371589 Hartree
54	RY*(8)C2 s(5.41%)p1.45(7.83%)d16.05(86.77%)	0.000013232	2.186790239 Hartree
55	RY*(9)C2 s(0.00%)p1.00(11.08%)d8.03(88.92%)	0.000000000	1.704842518 Hartree
56	RY*(10)C2 s(42.46%)p0.00(0.04%)d1.35(57.50%)	0.000005944	2.988363077 Hartree
57	RY*(1)C3 s(0.45%)p99.99(91.94%)d16.98(7.61%)	0.004901903	1.287879289 Hartree
58	RY*(2)C3 s(0.00%)p1.00(98.40%)d0.02(1.60%)	0.002841429	0.718014084 Hartree
59	RY*(3)C3 s(0.00%)p1.00(1.92%)d51.06(98.08%)	0.000629479	1.935725359 Hartree
60	RY*(4)C3 s(0.00%)p1.00(87.04%)d0.15(12.96%)	0.000432427	0.756074793 Hartree
61	RY*(5)C3 s(97.15%)p0.00(0.08%)d0.03(2.77%)	0.000245970	1.123874024 Hartree
62	RY*(6)C3 s(0.00%)p1.00(1.64%)d59.80(98.36%)	0.000107844	2.381385362 Hartree
63	RY*(7)C3 s(54.57%)p0.00(0.16%)d0.83(45.27%)	0.000050361	3.451371589 Hartree
64	RY*(8)C3 s(5.41%)p1.45(7.83%)d16.05(86.77%)	0.000013232	2.186790239 Hartree
65	RY*(9)C3 s(0.00%)p1.00(11.08%)d8.03(88.92%)	0.000000000	1.704842518 Hartree
66	RY*(10)C3 s(42.46%)p0.00(0.04%)d1.35(57.50%)	0.000005944	2.988363077 Hartree
67	RY*(1)C4 s(0.45%)p99.99(91.94%)d16.98(7.61%)	0.004901903	1.287879289 Hartree
68	RY*(2)C4 s(0.00%)p1.00(98.40%)d0.02(1.60%)	0.002841429	0.718014084 Hartree
69	RY*(3)C4 s(0.00%)p1.00(1.92%)d51.06(98.08%)	0.000629479	1.935725359 Hartree
70	RY*(4)C4 s(0.00%)p1.00(87.04%)d0.15(12.96%)	0.000432427	0.756074793 Hartree
71	RY*(5)C4 s(97.15%)p0.00(0.08%)d0.03(2.77%)	0.000245970	1.123874024 Hartree
72	RY*(6)C4 s(0.00%)p1.00(1.64%)d59.80(98.36%)	0.000107844	2.381385362 Hartree
73	RY*(7)C4 s(54.57%)p0.00(0.16%)d0.83(45.27%)	0.000050361	3.451371588 Hartree
74	RY*(8)C4 s(12.35%)p0.58(7.22%)d6.51(80.43%)	0.000012526	2.318801134 Hartree
75	RY*(9)C4 s(0.00%)p1.00(11.08%)d8.03(88.92%)	0.000000000	1.704842518 Hartree
76	RY*(10)C4 s(35.51%)p0.02(0.66%)d1.80(63.83%)	0.000006650	2.856352183 Hartree
77	RY*(1)C5 s(0.45%)p99.99(91.94%)d16.98(7.61%)	0.004901903	1.287879289 Hartree
78	RY*(2)C5 s(0.00%)p1.00(98.40%)d0.02(1.60%)	0.002841429	0.718014084 Hartree
79	RY*(3)C5 s(0.00%)p1.00(1.92%)d51.06(98.08%)	0.000629479	1.935725359 Hartree
80	RY*(4)C5 s(0.00%)p1.00(87.04%)d0.15(12.96%)	0.000432427	0.756074793 Hartree
81	RY*(5)C5 s(97.15%)p0.00(0.08%)d0.03(2.77%)	0.000245970	1.123874024 Hartree
82	RY*(6)C5 s(0.00%)p1.00(1.64%)d59.80(98.36%)	0.000107844	2.381385362 Hartree
83	RY*(7)C5 s(54.57%)p0.00(0.16%)d0.83(45.27%)	0.000050361	3.451371588 Hartree
84	RY*(8)C5 s(5.30%)p1.48(7.83%)d16.40(86.87%)	0.000013240	2.184827770 Hartree
85	RY*(9)C5 s(0.00%)p1.00(11.08%)d8.03(88.92%)	0.000000000	1.704842518 Hartree
86	RY*(10)C5 s(42.56%)p0.00(0.04%)d1.35(57.40%)	0.000005937	2.990325546 Hartree
87	RY*(1)C6 s(0.45%)p99.99(91.94%)d16.98(7.61%)	0.004901903	1.287879289 Hartree
88	RY*(2)C6 s(0.00%)p1.00(98.40%)d0.02(1.60%)	0.002841429	0.718014084 Hartree
89	RY*(3)C6 s(0.00%)p1.00(1.92%)d51.06(98.08%)	0.000629479	1.935725359 Hartree
90	RY*(4)C6 s(0.00%)p1.00(87.04%)d0.15(12.96%)	0.000432427	0.756074793 Hartree
91	RY*(5)C6 s(97.15%)p0.00(0.08%)d0.03(2.77%)	0.000245970	1.123874024 Hartree
92	RY*(6)C6 s(0.00%)p1.00(1.64%)d59.80(98.36%)	0.000107844	2.381385362 Hartree
93	RY*(7)C6 s(54.57%)p0.00(0.16%)d0.83(45.27%)	0.000050361	3.451371588 Hartree
94	RY*(8)C6 s(5.30%)p1.48(7.83%)d16.40(86.87%)	0.000013240	2.184827770 Hartree
95	RY*(9)C6 s(0.00%)p1.00(11.08%)d8.03(88.92%)	0.000000000	1.704842518 Hartree
96	RY*(10)C6 s(42.56%)p0.00(0.04%)d1.35(57.40%)	0.000005937	2.990325546 Hartree
97	RY*(1)H7 s(100.00%)	0.000914958	0.566328470 Hartree
98	RY*(1)H8 s(100.00%)	0.000914958	0.566328470 Hartree
99	RY*(1)H9 s(100.00%)	0.000914958	0.566328470 Hartree
100	RY*(1)H10 s(100.00%)	0.000914958	0.566328470 Hartree
101	RY*(1)H11 s(100.00%)	0.000914958	0.566328470 Hartree
102	RY*(1)H12 s(100.00%)	0.000914958	0.566328470 Hartree

Display Range		- / 102
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	1, 2	1.979730880	-0.687791247 Hartree
2	BD(2)C1-C2	3, 4	1.665260171	-0.239055563 Hartree
3	BD(1)C1-C6	5, 6	1.979730880	-0.687791247 Hartree
4	BD(1)C1-H12	7, 8	1.982258038	-0.513533150 Hartree
5	BD(1)C2-C3	9, 10	1.979730880	-0.687791247 Hartree
6	BD(1)C2-H11	11, 12	1.982258037	-0.513533150 Hartree
7	BD(1)C3-C4	13, 14	1.979730879	-0.687791247 Hartree
8	BD(2)C3-C4	15, 16	1.665260171	-0.239055563 Hartree
9	BD(1)C3-H10	17, 18	1.982258037	-0.513533150 Hartree
10	BD(1)C4-C5	19, 20	1.979730878	-0.687791247 Hartree
11	BD(1)C4-H9	21, 22	1.982258038	-0.513533150 Hartree
12	BD(1)C5-C6	23, 24	1.979730879	-0.687791247 Hartree
13	BD(2)C5-C6	25, 26	1.665260171	-0.239055563 Hartree
14	BD(1)C5-H8	27, 28	1.982258038	-0.513533150 Hartree
15	BD(1)C6-H7	29, 30	1.982258037	-0.513533150 Hartree
16	CR(1)C1	31	1.999080960	-10.032159307 Hartree
17	CR(1)C2	32	1.999080960	-10.032159307 Hartree
18	CR(1)C3	33	1.999080960	-10.032159307 Hartree
19	CR(1)C4	34	1.999080960	-10.032159307 Hartree
20	CR(1)C5	35	1.999080960	-10.032159307 Hartree
21	CR(1)C6	36	1.999080960	-10.032159307 Hartree
22	RY*(1)C1	37	0.004901903	1.287879289 Hartree
23	RY*(2)C1	38	0.002841429	0.718014084 Hartree
24	RY*(3)C1	39	0.000629479	1.935725359 Hartree
25	RY*(4)C1	40	0.000432427	0.756074793 Hartree
26	RY*(5)C1	41	0.000245970	1.123874024 Hartree
27	RY*(6)C1	42	0.000107844	2.381385362 Hartree
28	RY*(7)C1	43	0.000050361	3.451371587 Hartree
29	RY*(8)C1	44	0.000012526	2.318801134 Hartree
30	RY*(9)C1	45	0.000000000	1.704842518 Hartree
31	RY*(10)C1	46	0.000006650	2.856352183 Hartree
32	RY*(1)C2	47	0.004901903	1.287879289 Hartree
33	RY*(2)C2	48	0.002841429	0.718014084 Hartree
34	RY*(3)C2	49	0.000629479	1.935725359 Hartree
35	RY*(4)C2	50	0.000432427	0.756074793 Hartree
36	RY*(5)C2	51	0.000245970	1.123874024 Hartree
37	RY*(6)C2	52	0.000107844	2.381385362 Hartree
38	RY*(7)C2	53	0.000050361	3.451371589 Hartree
39	RY*(8)C2	54	0.000013232	2.186790239 Hartree
40	RY*(9)C2	55	0.000000000	1.704842518 Hartree
41	RY*(10)C2	56	0.000005944	2.988363077 Hartree
42	RY*(1)C3	57	0.004901903	1.287879289 Hartree
43	RY*(2)C3	58	0.002841429	0.718014084 Hartree
44	RY*(3)C3	59	0.000629479	1.935725359 Hartree
45	RY*(4)C3	60	0.000432427	0.756074793 Hartree
46	RY*(5)C3	61	0.000245970	1.123874024 Hartree
47	RY*(6)C3	62	0.000107844	2.381385362 Hartree
48	RY*(7)C3	63	0.000050361	3.451371589 Hartree
49	RY*(8)C3	64	0.000013232	2.186790239 Hartree
50	RY*(9)C3	65	0.000000000	1.704842518 Hartree
51	RY*(10)C3	66	0.000005944	2.988363077 Hartree
52	RY*(1)C4	67	0.004901903	1.287879289 Hartree
53	RY*(2)C4	68	0.002841429	0.718014084 Hartree
54	RY*(3)C4	69	0.000629479	1.935725359 Hartree
55	RY*(4)C4	70	0.000432427	0.756074793 Hartree
56	RY*(5)C4	71	0.000245970	1.123874024 Hartree
57	RY*(6)C4	72	0.000107844	2.381385362 Hartree
58	RY*(7)C4	73	0.000050361	3.451371588 Hartree
59	RY*(8)C4	74	0.000012526	2.318801134 Hartree
60	RY*(9)C4	75	0.000000000	1.704842518 Hartree
61	RY*(10)C4	76	0.000006650	2.856352183 Hartree
62	RY*(1)C5	77	0.004901903	1.287879289 Hartree
63	RY*(2)C5	78	0.002841429	0.718014084 Hartree
64	RY*(3)C5	79	0.000629479	1.935725359 Hartree
65	RY*(4)C5	80	0.000432427	0.756074793 Hartree
66	RY*(5)C5	81	0.000245970	1.123874024 Hartree
67	RY*(6)C5	82	0.000107844	2.381385362 Hartree
68	RY*(7)C5	83	0.000050361	3.451371588 Hartree
69	RY*(8)C5	84	0.000013240	2.184827770 Hartree
70	RY*(9)C5	85	0.000000000	1.704842518 Hartree
71	RY*(10)C5	86	0.000005937	2.990325546 Hartree
72	RY*(1)C6	87	0.004901903	1.287879289 Hartree
73	RY*(2)C6	88	0.002841429	0.718014084 Hartree
74	RY*(3)C6	89	0.000629479	1.935725359 Hartree
75	RY*(4)C6	90	0.000432427	0.756074793 Hartree
76	RY*(5)C6	91	0.000245970	1.123874024 Hartree
77	RY*(6)C6	92	0.000107844	2.381385362 Hartree
78	RY*(7)C6	93	0.000050361	3.451371588 Hartree
79	RY*(8)C6	94	0.000013240	2.184827770 Hartree
80	RY*(9)C6	95	0.000000000	1.704842518 Hartree
81	RY*(10)C6	96	0.000005937	2.990325546 Hartree
82	RY*(1)H7	97	0.000914958	0.566328470 Hartree
83	RY*(1)H8	98	0.000914958	0.566328470 Hartree
84	RY*(1)H9	99	0.000914958	0.566328470 Hartree
85	RY*(1)H10	100	0.000914958	0.566328470 Hartree
86	RY*(1)H11	101	0.000914958	0.566328470 Hartree
87	RY*(1)H12	102	0.000914958	0.566328470 Hartree
88	BD*(1)C1-C2		0.016794774	0.609274971 Hartree
89	BD*(2)C1-C2		0.332616017	0.048955672 Hartree
90	BD*(1)C1-C6		0.016794774	0.609274971 Hartree
91	BD*(1)C1-H12		0.013053705	0.491697960 Hartree
92	BD*(1)C2-C3		0.016794774	0.609274971 Hartree
93	BD*(1)C2-H11		0.013053705	0.491697960 Hartree
94	BD*(1)C3-C4		0.016794774	0.609274971 Hartree
95	BD*(2)C3-C4		0.332616017	0.048955672 Hartree
96	BD*(1)C3-H10		0.013053705	0.491697960 Hartree
97	BD*(1)C4-C5		0.016794774	0.609274970 Hartree
98	BD*(1)C4-H9		0.013053705	0.491697960 Hartree
99	BD*(1)C5-C6		0.016794774	0.609274971 Hartree
100	BD*(2)C5-C6		0.332616017	0.048955672 Hartree
101	BD*(1)C5-H8		0.013053705	0.491697960 Hartree
102	BD*(1)C6-H7		0.013053705	0.491697960 Hartree

IF YOU BELIEVE CERTAIN WORDS, YOU BELIEVE THEIR HIDDEN ARGUMENTS. WHEN YOU BELIEVE SOMETHING IS RIGHT OR WRONG, TRUE OR FALSE, YOU BELIEVE THE ASSUMPTIONS IN THE WORDS WHICH EXPRESS THE ARGUMENTS. SUCH ASSUMPTIONS ARE OFTEN FULL OF HOLES, BUT REMAIN MOST PRECIOUS TO THE CONVINCED. -- THE OPEN-ENDED PROOF FROM THE PANOPLIA PROPHETICA CHILDREN OF DUNE BY FRANK HERBERT