WebMO Job Summary

Quantity	Value
Route	#N MP2/6-31G(d) SP GFINPUT POP=(FULL,NBORead) SCRF=(PCM,Solvent=Water)
Stoichiometry	C2HF3O2
Symmetry	CS
Basis	6-31G(d)
RHF Energy	-524.375428867 Hartree
MP2 Energy	-525.49171829731 Hartree
Dipole Moment	2.7190 Debye
Server	batch (360132)
CPU time	12 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	3.7898071	0.12641435763
b	2.5055912	0.08357752616
c	2.0665602	0.06893302833

Atom	Symbol	Charge
1	C	1.119929
2	C	0.695687
3	O	-0.695989
4	H	0.516836
5	O	-0.557791
6	F	-0.361186
7	F	-0.356301
8	F	-0.361186

Display Range		- / 107
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-26.36494 Hartree
2	-	2	-26.36493 Hartree
3	-	2	-26.36455 Hartree
4	-	2	-20.65662 Hartree
5	-	2	-20.60652 Hartree
6	-	2	-11.54332 Hartree
7	-	2	-11.44209 Hartree
8	-	2	-1.74514 Hartree
9	-	2	-1.65205 Hartree
10	-	2	-1.65063 Hartree
11	-	2	-1.49872 Hartree
12	-	2	-1.40204 Hartree
13	-	2	-1.04411 Hartree
14	-	2	-0.91093 Hartree
15	-	2	-0.84187 Hartree
16	-	2	-0.83845 Hartree
17	-	2	-0.80612 Hartree
18	-	2	-0.73657 Hartree
19	-	2	-0.72591 Hartree
20	-	2	-0.72184 Hartree
21	-	2	-0.68259 Hartree
22	-	2	-0.68077 Hartree
23	-	2	-0.67707 Hartree
24	-	2	-0.66304 Hartree
25	-	2	-0.64825 Hartree
26	-	2	-0.60733 Hartree
27	-	2	-0.51497 Hartree
28	-	2	-0.49826 Hartree
29	-	0	0.12909 Hartree
30	-	0	0.21974 Hartree
31	-	0	0.33609 Hartree
32	-	0	0.39643 Hartree
33	-	0	0.41853 Hartree
34	-	0	0.41889 Hartree
35	-	0	0.48245 Hartree
36	-	0	0.57909 Hartree
37	-	0	0.66363 Hartree
38	-	0	0.70260 Hartree
39	-	0	0.72969 Hartree
40	-	0	0.79361 Hartree
41	-	0	0.79798 Hartree
42	-	0	0.84836 Hartree
43	-	0	0.88512 Hartree
44	-	0	1.01093 Hartree
45	-	0	1.05461 Hartree
46	-	0	1.08532 Hartree
47	-	0	1.14910 Hartree
48	-	0	1.17980 Hartree
49	-	0	1.25092 Hartree
50	-	0	1.27193 Hartree
51	-	0	1.32128 Hartree
52	-	0	1.33319 Hartree
53	-	0	1.37167 Hartree
54	-	0	1.39616 Hartree
55	-	0	1.48353 Hartree
56	-	0	1.58943 Hartree
57	-	0	1.59134 Hartree
58	-	0	1.61636 Hartree
59	-	0	1.62024 Hartree
60	-	0	1.62199 Hartree
61	-	0	1.64657 Hartree
62	-	0	1.64953 Hartree
63	-	0	1.67065 Hartree
64	-	0	1.72110 Hartree
65	-	0	1.86671 Hartree
66	-	0	1.87218 Hartree
67	-	0	1.92116 Hartree
68	-	0	1.95313 Hartree
69	-	0	1.99620 Hartree
70	-	0	2.00487 Hartree
71	-	0	2.04607 Hartree
72	-	0	2.09118 Hartree
73	-	0	2.10691 Hartree
74	-	0	2.10703 Hartree
75	-	0	2.13977 Hartree
76	-	0	2.18013 Hartree
77	-	0	2.22119 Hartree
78	-	0	2.24376 Hartree
79	-	0	2.27216 Hartree
80	-	0	2.32010 Hartree
81	-	0	2.33687 Hartree
82	-	0	2.34539 Hartree
83	-	0	2.39893 Hartree
84	-	0	2.43480 Hartree
85	-	0	2.50619 Hartree
86	-	0	2.51879 Hartree
87	-	0	2.64082 Hartree
88	-	0	2.79256 Hartree
89	-	0	2.80766 Hartree
90	-	0	2.89673 Hartree
91	-	0	2.95528 Hartree
92	-	0	3.01332 Hartree
93	-	0	3.10824 Hartree
94	-	0	3.11989 Hartree
95	-	0	3.22550 Hartree
96	-	0	3.29484 Hartree
97	-	0	3.36837 Hartree
98	-	0	3.39833 Hartree
99	-	0	3.43320 Hartree
100	-	0	3.45693 Hartree
101	-	0	4.19414 Hartree
102	-	0	4.44110 Hartree
103	-	0	4.68514 Hartree
104	-	0	4.70047 Hartree
105	-	0	4.91191 Hartree
106	-	0	5.16500 Hartree
107	-	0	5.84450 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	1.20120
2	C	0.90740
3	O	-0.77358
4	H	0.55362
5	O	-0.67425
6	F	-0.40616
7	F	-0.40207
8	F	-0.40616

Display Range		- / 107
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999310081	-11.461118336 Hartree
2	C1 Val(2S)	0.817899771	-0.281698309 Hartree
3	C1 Ryd(3S)	0.005344588	1.569046875 Hartree
4	C1 Ryd(4S)	0.000480299	4.577515372 Hartree
5	C1 Val(2p)	0.542775380	0.004470840 Hartree
6	C1 Ryd(3p)	0.014845769	0.911762135 Hartree
7	C1 Val(2p)	0.851266855	-0.104727467 Hartree
8	C1 Ryd(3p)	0.008612223	0.856479298 Hartree
9	C1 Val(2p)	0.523532197	0.006378329 Hartree
10	C1 Ryd(3p)	0.012548832	0.840637023 Hartree
11	C1 Ryd(3d)	0.004039646	2.604807407 Hartree
12	C1 Ryd(3d)	0.005773766	2.584266060 Hartree
13	C1 Ryd(3d)	0.002990730	2.362432537 Hartree
14	C1 Ryd(3d)	0.004278585	2.488215037 Hartree
15	C1 Ryd(3d)	0.005100681	2.559345795 Hartree
16	C2 Cor(1S)	1.999416464	-11.324893359 Hartree
17	C2 Val(2S)	0.798880812	-0.195067825 Hartree
18	C2 Ryd(3S)	0.005356616	1.381096213 Hartree
19	C2 Ryd(4S)	0.000450624	3.632233277 Hartree
20	C2 Val(2p)	0.699039485	0.079139397 Hartree
21	C2 Ryd(3p)	0.019579654	0.923630761 Hartree
22	C2 Val(2p)	0.889230091	-0.066360011 Hartree
23	C2 Ryd(3p)	0.004545449	0.931240416 Hartree
24	C2 Val(2p)	0.659320676	-0.057964137 Hartree
25	C2 Ryd(3p)	0.002346306	0.764159100 Hartree
26	C2 Ryd(3d)	0.004737009	2.839000113 Hartree
27	C2 Ryd(3d)	0.003912619	2.509271784 Hartree
28	C2 Ryd(3d)	0.000785659	2.241601249 Hartree
29	C2 Ryd(3d)	0.004056977	2.888805396 Hartree
30	C2 Ryd(3d)	0.000937998	2.657287958 Hartree
31	O3 Cor(1S)	1.999766044	-20.454016210 Hartree
32	O3 Val(2S)	1.685937655	-1.218009108 Hartree
33	O3 Ryd(3S)	0.000696966	1.969512799 Hartree
34	O3 Ryd(4S)	0.000056968	4.033881577 Hartree
35	O3 Val(2p)	1.697372979	-0.519056933 Hartree
36	O3 Ryd(3p)	0.001549982	1.337595248 Hartree
37	O3 Val(2p)	1.527408833	-0.446335867 Hartree
38	O3 Ryd(3p)	0.001264655	1.511830372 Hartree
39	O3 Val(2p)	1.850248350	-0.534397403 Hartree
40	O3 Ryd(3p)	0.001195024	1.201375974 Hartree
41	O3 Ryd(3d)	0.002394723	2.801755786 Hartree
42	O3 Ryd(3d)	0.002725835	2.195301047 Hartree
43	O3 Ryd(3d)	0.000024206	2.037532050 Hartree
44	O3 Ryd(3d)	0.001771534	2.631572301 Hartree
45	O3 Ryd(3d)	0.001166101	2.592476168 Hartree
46	H4 Val(1S)	0.444829826	0.293545533 Hartree
47	H4 Ryd(2S)	0.001545508	0.758419893 Hartree
48	O5 Cor(1S)	1.999775031	-20.339194454 Hartree
49	O5 Val(2S)	1.708517401	-1.187461256 Hartree
50	O5 Ryd(3S)	0.000417699	2.310244983 Hartree
51	O5 Ryd(4S)	0.000107164	3.685303633 Hartree
52	O5 Val(2p)	1.617252421	-0.463282648 Hartree
53	O5 Ryd(3p)	0.000855939	1.587086346 Hartree
54	O5 Val(2p)	1.848088769	-0.476143410 Hartree
55	O5 Ryd(3p)	0.002678936	1.429553384 Hartree
56	O5 Val(2p)	1.473936490	-0.353470911 Hartree
57	O5 Ryd(3p)	0.000535857	1.287481559 Hartree
58	O5 Ryd(3d)	0.006399098	2.410363808 Hartree
59	O5 Ryd(3d)	0.006653829	2.127170759 Hartree
60	O5 Ryd(3d)	0.000952840	2.064589284 Hartree
61	O5 Ryd(3d)	0.006299393	2.498683138 Hartree
62	O5 Ryd(3d)	0.001779422	2.267039076 Hartree
63	F6 Cor(1S)	1.999925285	-26.094146598 Hartree
64	F6 Val(2S)	1.844493737	-1.687723744 Hartree
65	F6 Ryd(3S)	0.000610339	2.510054552 Hartree
66	F6 Ryd(4S)	0.000046336	3.645316378 Hartree
67	F6 Val(2p)	1.859265712	-0.662344452 Hartree
68	F6 Ryd(3p)	0.000208749	1.812439816 Hartree
69	F6 Val(2p)	1.943542659	-0.684208717 Hartree
70	F6 Ryd(3p)	0.000761508	1.716374724 Hartree
71	F6 Val(2p)	1.750929101	-0.636243837 Hartree
72	F6 Ryd(3p)	0.000197404	1.939626093 Hartree
73	F6 Ryd(3d)	0.000690527	2.253912243 Hartree
74	F6 Ryd(3d)	0.001743678	2.817080212 Hartree
75	F6 Ryd(3d)	0.001305864	2.414749073 Hartree
76	F6 Ryd(3d)	0.000694594	2.271150668 Hartree
77	F6 Ryd(3d)	0.001747089	2.564942170 Hartree
78	F7 Cor(1S)	1.999923139	-26.091484733 Hartree
79	F7 Val(2S)	1.840336568	-1.684415765 Hartree
80	F7 Ryd(3S)	0.000577573	2.605906215 Hartree
81	F7 Ryd(4S)	0.000064729	3.730164955 Hartree
82	F7 Val(2p)	1.748197646	-0.636634242 Hartree
83	F7 Ryd(3p)	0.000256506	1.972217409 Hartree
84	F7 Val(2p)	1.857373151	-0.662360451 Hartree
85	F7 Ryd(3p)	0.000797828	1.835174606 Hartree
86	F7 Val(2p)	1.948077785	-0.683595839 Hartree
87	F7 Ryd(3p)	0.000218061	1.678248478 Hartree
88	F7 Ryd(3d)	0.001868766	2.900628525 Hartree
89	F7 Ryd(3d)	0.001251848	2.258627905 Hartree
90	F7 Ryd(3d)	0.000683739	2.248645537 Hartree
91	F7 Ryd(3d)	0.001815726	2.450090705 Hartree
92	F7 Ryd(3d)	0.000630451	2.439636348 Hartree
93	F8 Cor(1S)	1.999925285	-26.094146598 Hartree
94	F8 Val(2S)	1.844493737	-1.687723744 Hartree
95	F8 Ryd(3S)	0.000610339	2.510054552 Hartree
96	F8 Ryd(4S)	0.000046336	3.645316378 Hartree
97	F8 Val(2p)	1.859265712	-0.662344452 Hartree
98	F8 Ryd(3p)	0.000208749	1.812439816 Hartree
99	F8 Val(2p)	1.943542659	-0.684208717 Hartree
100	F8 Ryd(3p)	0.000761508	1.716374724 Hartree
101	F8 Val(2p)	1.750929101	-0.636243837 Hartree
102	F8 Ryd(3p)	0.000197404	1.939626093 Hartree
103	F8 Ryd(3d)	0.000690527	2.253912243 Hartree
104	F8 Ryd(3d)	0.001743678	2.817080212 Hartree
105	F8 Ryd(3d)	0.001305864	2.414749073 Hartree
106	F8 Ryd(3d)	0.000694594	2.271150668 Hartree
107	F8 Ryd(3d)	0.001747089	2.564942170 Hartree

Display Range		- / 107
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(31.83%)p2.14(67.96%)d0.01(0.21%)	1.049309209	-0.227961024 Hartree
2	BD(1)C2(C1) 2s(33.68%)p1.96(66.14%)d0.01(0.19%)	1.028626645	-0.209358151 Hartree
3	BD(1)C1(F6) 1s(22.64%)p3.39(76.70%)d0.03(0.66%)	0.564935006	-0.020226033 Hartree
4	BD(1)F6(C1) 6s(29.62%)p2.37(70.24%)d0.00(0.14%)	1.501491424	-0.874341029 Hartree
5	BD(1)C1(F7) 1s(22.89%)p3.34(76.44%)d0.03(0.67%)	0.562681568	-0.014443260 Hartree
6	BD(1)F7(C1) 7s(30.35%)p2.29(69.52%)d0.00(0.14%)	1.499808206	-0.881336184 Hartree
7	BD(1)C1(F8) 1s(22.64%)p3.39(76.70%)d0.03(0.66%)	0.564935006	-0.020226033 Hartree
8	BD(1)F8(C1) 8s(29.62%)p2.37(70.24%)d0.00(0.14%)	1.501491424	-0.874341029 Hartree
9	BD(1)C2(O3) 2s(30.08%)p2.31(69.52%)d0.01(0.40%)	0.675170415	0.007218068 Hartree
10	BD(1)O3(C2) 3s(33.94%)p1.94(65.95%)d0.00(0.11%)	1.390131531	-0.657602817 Hartree
11	BD(1)C2(O5) 2s(36.17%)p1.76(63.65%)d0.00(0.17%)	0.691756201	0.082196914 Hartree
12	BD(1)O5(C2) 5s(41.25%)p1.41(58.25%)d0.01(0.50%)	1.324382147	-0.651687033 Hartree
13	BD(2)C2(O5) 2s(0.00%)p1.00(99.65%)d0.00(0.35%)	0.660435357	-0.054115356 Hartree
14	BD(2)O5(C2) 5s(0.00%)p1.00(99.50%)d0.01(0.50%)	1.481512341	-0.358219652 Hartree
15	BD(1)O3(H4) 3s(22.78%)p3.38(77.08%)d0.01(0.15%)	1.549443422	-0.633682356 Hartree
16	BD(1)H4(O3) 4s(100.00%)	0.444809052	0.298869902 Hartree
17	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999319766	-11.461310067 Hartree
18	CR(1)C2 s(100.00%)	1.999417008	-11.325220413 Hartree
19	CR(1)O3 s(100.00%)p0.00(0.00%)	1.999766405	-20.454747077 Hartree
20	CR(1)O5 s(100.00%)p0.00(0.00%)	1.999773165	-20.340704428 Hartree
21	CR(1)F6 s(100.00%)p0.00(0.00%)	1.999924935	-26.094950004 Hartree
22	CR(1)F7 s(100.00%)p0.00(0.00%)	1.999922783	-26.092316303 Hartree
23	CR(1)F8 s(100.00%)p0.00(0.00%)	1.999924935	-26.094950004 Hartree
24	LP(1)O3 s(43.25%)p1.31(56.68%)d0.00(0.07%)	1.977607765	-0.887858348 Hartree
25	LP(2)O3 s(0.00%)p1.00(99.85%)d0.00(0.15%)	1.853083524	-0.536651495 Hartree
26	LP(1)O5 s(58.69%)p0.70(41.24%)d0.00(0.07%)	1.980094543	-0.993458171 Hartree
27	LP(2)O5 s(0.00%)p1.00(99.68%)d0.00(0.32%)	1.883747754	-0.481640776 Hartree
28	LP(1)F6 s(70.35%)p0.42(29.63%)d0.00(0.01%)	1.989246596	-1.423973696 Hartree
29	LP(2)F6 s(0.01%)p1.00(99.90%)d0.00(0.09%)	1.961680168	-0.690010882 Hartree
30	LP(3)F6 s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.951903172	-0.685856574 Hartree
31	LP(1)F7 s(69.64%)p0.44(30.35%)d0.00(0.01%)	1.989098951	-1.415820046 Hartree
32	LP(2)F7 s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.961296445	-0.688428175 Hartree
33	LP(3)F7 s(0.00%)p1.00(99.90%)d0.00(0.10%)	1.949934506	-0.685129384 Hartree
34	LP(1)F8 s(70.35%)p0.42(29.63%)d0.00(0.01%)	1.989246596	-1.423973696 Hartree
35	LP(2)F8 s(0.01%)p1.00(99.90%)d0.00(0.09%)	1.961680168	-0.690010882 Hartree
36	LP(3)F8 s(0.00%)p1.00(99.91%)d0.00(0.09%)	1.951903172	-0.685856574 Hartree
37	RY*(1)C1 s(0.08%)p99.99(89.64%)d99.99(10.28%)	0.017188639	1.100606057 Hartree
38	RY*(2)C1 s(0.00%)p1.00(83.49%)d0.20(16.51%)	0.015136175	1.152270885 Hartree
39	RY*(3)C1 s(22.65%)p2.81(63.74%)d0.60(13.61%)	0.011674330	1.097953975 Hartree
40	RY*(4)C1 s(45.51%)p0.05(2.32%)d1.15(52.17%)	0.003407358	2.182921258 Hartree
41	RY*(5)C1 s(0.00%)p1.00(6.93%)d13.43(93.07%)	0.003208817	2.255878496 Hartree
42	RY*(6)C1 s(6.54%)p0.96(6.29%)d13.33(87.17%)	0.003160583	2.310100141 Hartree
43	RY*(7)C1 s(0.03%)p99.99(4.01%)d99.99(95.95%)	0.001774951	2.558467215 Hartree
44	RY*(8)C1 s(0.00%)p1.00(10.50%)d8.52(89.50%)	0.001558097	2.340753949 Hartree
45	RY*(9)C1 s(43.67%)p0.65(28.38%)d0.64(27.96%)	0.000406839	1.954034507 Hartree
46	RY*(10)C1 s(81.52%)p0.08(6.90%)d0.14(11.58%)	0.000103058	4.308992531 Hartree
47	RY*(1)C2 s(5.96%)p15.54(92.63%)d0.24(1.41%)	0.019250666	0.961577427 Hartree
48	RY*(2)C2 s(13.72%)p2.16(29.60%)d4.13(56.68%)	0.007411932	2.025582361 Hartree
49	RY*(3)C2 s(0.00%)p1.00(1.09%)d90.49(98.91%)	0.004488177	2.436976732 Hartree
50	RY*(4)C2 s(26.14%)p0.85(22.23%)d1.97(51.63%)	0.002813764	2.195844114 Hartree
51	RY*(5)C2 s(0.00%)p1.00(98.89%)d0.01(1.11%)	0.001226518	0.789007148 Hartree
52	RY*(6)C2 s(13.76%)p0.33(4.55%)d5.94(81.69%)	0.000999610	2.516318356 Hartree
53	RY*(7)C2 s(47.25%)p0.99(46.78%)d0.13(5.97%)	0.000548829	1.200590250 Hartree
54	RY*(8)C2 s(0.00%)p1.00(0.37%)d99.99(99.63%)	0.000215208	2.285199473 Hartree
55	RY*(9)C2 s(91.05%)p0.05(4.30%)d0.05(4.65%)	0.000208329	3.474344610 Hartree
56	RY*(10)C2 s(2.19%)p0.27(0.59%)d44.29(97.21%)	0.000027782	2.817018801 Hartree
57	RY*(1)O3 s(17.95%)p4.31(77.42%)d0.26(4.64%)	0.001773482	1.604156911 Hartree
58	RY*(2)O3 s(0.00%)p1.00(98.22%)d0.02(1.78%)	0.001079829	1.204427488 Hartree
59	RY*(3)O3 s(62.69%)p0.48(29.99%)d0.12(7.32%)	0.000507052	2.109982548 Hartree
60	RY*(4)O3 s(8.86%)p7.96(70.58%)d2.32(20.56%)	0.000101287	1.589569048 Hartree
61	RY*(5)O3 s(0.00%)p1.00(0.54%)d99.99(99.46%)	0.000029571	1.977612834 Hartree
62	RY*(6)O3 s(8.98%)p0.02(0.22%)d10.12(90.80%)	0.000017197	2.622382427 Hartree
63	RY*(7)O3 s(99.63%)p0.00(0.35%)d0.00(0.03%)	0.000018084	4.048092601 Hartree
64	RY*(8)O3 s(1.87%)p10.86(20.30%)d41.64(77.84%)	0.000011411	2.369431572 Hartree
65	RY*(9)O3 s(0.00%)p1.00(1.39%)d71.10(98.61%)	0.000000491	2.254422842 Hartree
66	RY*(10)O3 s(0.06%)p22.33(1.44%)d99.99(98.49%)	0.000008803	2.531481623 Hartree
67	RY*(1)H4 s(100.00%)	0.001566281	0.753095525 Hartree
68	RY*(1)O5 s(4.36%)p19.93(86.91%)d2.00(8.73%)	0.003623624	1.676688070 Hartree
69	RY*(2)O5 s(0.00%)p1.00(90.21%)d0.11(9.79%)	0.000556038	1.419333041 Hartree
70	RY*(3)O5 s(58.12%)p0.01(0.30%)d0.72(41.58%)	0.000242605	2.874610400 Hartree
71	RY*(4)O5 s(25.40%)p1.15(29.27%)d1.78(45.33%)	0.000215086	2.322072071 Hartree
72	RY*(5)O5 s(74.17%)p0.20(14.57%)d0.15(11.26%)	0.000030664	2.660875795 Hartree
73	RY*(6)O5 s(19.47%)p0.36(6.93%)d3.78(73.60%)	0.000031993	2.368333958 Hartree
74	RY*(7)O5 s(3.62%)p16.23(58.76%)d10.39(37.62%)	0.000023411	2.316426150 Hartree
75	RY*(8)O5 s(0.00%)p1.00(5.97%)d15.74(94.03%)	0.000006705	2.007345515 Hartree
76	RY*(9)O5 s(0.00%)p1.00(4.31%)d22.18(95.69%)	0.000003931	2.057311788 Hartree
77	RY*(10)O5 s(14.91%)p0.27(4.09%)d5.43(81.00%)	0.000006281	1.970676563 Hartree
78	RY*(1)F6 s(41.21%)p1.34(55.05%)d0.09(3.74%)	0.001111829	2.351785065 Hartree
79	RY*(2)F6 s(29.99%)p1.98(59.38%)d0.35(10.63%)	0.000417401	2.236289153 Hartree
80	RY*(3)F6 s(0.17%)p99.99(89.25%)d63.22(10.58%)	0.000196416	1.866882137 Hartree
81	RY*(4)F6 s(13.22%)p0.61(8.02%)d5.96(78.76%)	0.000073865	2.476285928 Hartree
82	RY*(5)F6 s(59.52%)p0.02(1.24%)d0.66(39.24%)	0.000037729	2.869823475 Hartree
83	RY*(6)F6 s(0.86%)p9.04(7.75%)d99.99(91.39%)	0.000044723	2.208631354 Hartree
84	RY*(7)F6 s(17.16%)p0.08(1.42%)d4.75(81.43%)	0.000012466	3.088029726 Hartree
85	RY*(8)F6 s(3.19%)p0.05(0.15%)d30.35(96.67%)	0.000006734	2.367819591 Hartree
86	RY*(9)F6 s(12.61%)p0.06(0.70%)d6.88(86.69%)	0.000005339	2.546191543 Hartree
87	RY*(10)F6 s(22.12%)p3.50(77.36%)d0.02(0.52%)	0.000009785	1.938372792 Hartree
88	RY*(1)F7 s(31.64%)p2.06(65.18%)d0.10(3.18%)	0.001102741	2.260804572 Hartree
89	RY*(2)F7 s(42.17%)p1.14(48.00%)d0.23(9.82%)	0.000466837	2.557633830 Hartree
90	RY*(3)F7 s(0.00%)p1.00(87.13%)d0.15(12.87%)	0.000241262	1.812209714 Hartree
91	RY*(4)F7 s(81.41%)p0.08(6.62%)d0.15(11.97%)	0.000057001	2.863337791 Hartree
92	RY*(5)F7 s(0.00%)p1.00(12.90%)d6.75(87.10%)	0.000049222	2.116209110 Hartree
93	RY*(6)F7 s(2.97%)p1.05(3.13%)d31.62(93.90%)	0.000057597	2.358412365 Hartree
94	RY*(7)F7 s(18.33%)p4.18(76.63%)d0.28(5.04%)	0.000008293	2.389883965 Hartree
95	RY*(8)F7 s(0.00%)p1.00(0.06%)d99.99(99.94%)	0.000006443	2.258636642 Hartree
96	RY*(9)F7 s(9.83%)p0.05(0.50%)d9.12(89.67%)	0.000013417	2.622874760 Hartree
97	RY*(10)F7 s(13.66%)p0.01(0.17%)d6.31(86.17%)	0.000009813	2.883876998 Hartree
98	RY*(1)F8 s(41.21%)p1.34(55.05%)d0.09(3.74%)	0.001111829	2.351785065 Hartree
99	RY*(2)F8 s(29.99%)p1.98(59.38%)d0.35(10.63%)	0.000417401	2.236289152 Hartree
100	RY*(3)F8 s(0.17%)p99.99(89.25%)d63.22(10.58%)	0.000196416	1.866882137 Hartree
101	RY*(4)F8 s(13.22%)p0.61(8.02%)d5.96(78.76%)	0.000073865	2.476285928 Hartree
102	RY*(5)F8 s(59.52%)p0.02(1.24%)d0.66(39.24%)	0.000037729	2.869823475 Hartree
103	RY*(6)F8 s(0.86%)p9.04(7.75%)d99.99(91.39%)	0.000044723	2.208631354 Hartree
104	RY*(7)F8 s(17.16%)p0.08(1.42%)d4.75(81.43%)	0.000012466	3.088029727 Hartree
105	RY*(8)F8 s(3.19%)p0.05(0.15%)d30.35(96.67%)	0.000006734	2.367819591 Hartree
106	RY*(9)F8 s(12.61%)p0.06(0.70%)d6.88(86.69%)	0.000005339	2.546191543 Hartree
107	RY*(10)F8 s(22.12%)p3.50(77.36%)d0.02(0.52%)	0.000009785	1.938372792 Hartree

Display Range		- / 107
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	603, 604	1.983045679	-0.954775503 Hartree
2	BD(1)C1-F6	605, 606	1.993575343	-1.357241519 Hartree
3	BD(1)C1-F7	607, 608	1.994161328	-1.372523746 Hartree
4	BD(1)C1-F8	609, 610	1.993575343	-1.357241519 Hartree
5	BD(1)C2-O3	611, 612	1.996111286	-1.261850507 Hartree
6	BD(1)C2-O5	613, 614	1.998181225	-1.433347381 Hartree
7	BD(2)C2-O5	615, 616	1.990977464	-0.572520766 Hartree
8	BD(1)O3-H4	617, 618	1.986107746	-1.000367650 Hartree
9	CR(1)C1	619	1.999319766	-11.461310067 Hartree
10	CR(1)C2	620	1.999417008	-11.325220413 Hartree
11	CR(1)O3	621	1.999766405	-20.454747077 Hartree
12	CR(1)O5	622	1.999773165	-20.340704428 Hartree
13	CR(1)F6	623	1.999924935	-26.094950004 Hartree
14	CR(1)F7	624	1.999922783	-26.092316303 Hartree
15	CR(1)F8	625	1.999924935	-26.094950004 Hartree
16	LP(1)O3	626	1.977607765	-0.887858348 Hartree
17	LP(2)O3	627	1.853083524	-0.536651495 Hartree
18	LP(1)O5	628	1.980094543	-0.993458171 Hartree
19	LP(2)O5	629	1.883747754	-0.481640776 Hartree
20	LP(1)F6	630	1.989246596	-1.423973696 Hartree
21	LP(2)F6	631	1.961680167	-0.690010882 Hartree
22	LP(3)F6	632	1.951903172	-0.685856574 Hartree
23	LP(1)F7	633	1.989098951	-1.415820046 Hartree
24	LP(2)F7	634	1.961296445	-0.688428175 Hartree
25	LP(3)F7	635	1.949934506	-0.685129384 Hartree
26	LP(1)F8	636	1.989246596	-1.423973696 Hartree
27	LP(2)F8	637	1.961680168	-0.690010882 Hartree
28	LP(3)F8	638	1.951903172	-0.685856574 Hartree
29	RY*(1)C1	639	0.017188639	1.100606057 Hartree
30	RY*(2)C1	640	0.015136175	1.152270885 Hartree
31	RY*(3)C1	641	0.011674330	1.097953975 Hartree
32	RY*(4)C1	642	0.003407358	2.182921258 Hartree
33	RY*(5)C1	643	0.003208817	2.255878496 Hartree
34	RY*(6)C1	644	0.003160583	2.310100141 Hartree
35	RY*(7)C1	645	0.001774951	2.558467215 Hartree
36	RY*(8)C1	646	0.001558097	2.340753949 Hartree
37	RY*(9)C1	647	0.000406839	1.954034507 Hartree
38	RY*(10)C1	648	0.000103058	4.308992531 Hartree
39	RY*(1)C2	649	0.019250666	0.961577427 Hartree
40	RY*(2)C2	650	0.007411932	2.025582361 Hartree
41	RY*(3)C2	651	0.004488177	2.436976732 Hartree
42	RY*(4)C2	652	0.002813764	2.195844114 Hartree
43	RY*(5)C2	653	0.001226518	0.789007148 Hartree
44	RY*(6)C2	654	0.000999610	2.516318356 Hartree
45	RY*(7)C2	655	0.000548829	1.200590250 Hartree
46	RY*(8)C2	656	0.000215208	2.285199473 Hartree
47	RY*(9)C2	657	0.000208329	3.474344610 Hartree
48	RY*(10)C2	658	0.000027782	2.817018801 Hartree
49	RY*(1)O3	659	0.001773482	1.604156911 Hartree
50	RY*(2)O3	660	0.001079829	1.204427488 Hartree
51	RY*(3)O3	661	0.000507052	2.109982548 Hartree
52	RY*(4)O3	662	0.000101287	1.589569048 Hartree
53	RY*(5)O3	663	0.000029571	1.977612834 Hartree
54	RY*(6)O3	664	0.000017197	2.622382427 Hartree
55	RY*(7)O3	665	0.000018084	4.048092601 Hartree
56	RY*(8)O3	666	0.000011411	2.369431572 Hartree
57	RY*(9)O3	667	0.000000491	2.254422842 Hartree
58	RY*(10)O3	668	0.000008803	2.531481623 Hartree
59	RY*(1)H4	669	0.001566281	0.753095525 Hartree
60	RY*(1)O5	670	0.003623624	1.676688070 Hartree
61	RY*(2)O5	671	0.000556038	1.419333041 Hartree
62	RY*(3)O5	672	0.000242605	2.874610400 Hartree
63	RY*(4)O5	673	0.000215086	2.322072071 Hartree
64	RY*(5)O5	674	0.000030664	2.660875795 Hartree
65	RY*(6)O5	675	0.000031993	2.368333958 Hartree
66	RY*(7)O5	676	0.000023411	2.316426150 Hartree
67	RY*(8)O5	677	0.000006705	2.007345515 Hartree
68	RY*(9)O5	678	0.000003931	2.057311788 Hartree
69	RY*(10)O5	679	0.000006281	1.970676563 Hartree
70	RY*(1)F6	680	0.001111829	2.351785065 Hartree
71	RY*(2)F6	681	0.000417401	2.236289153 Hartree
72	RY*(3)F6	682	0.000196416	1.866882137 Hartree
73	RY*(4)F6	683	0.000073865	2.476285928 Hartree
74	RY*(5)F6	684	0.000037729	2.869823475 Hartree
75	RY*(6)F6	685	0.000044723	2.208631354 Hartree
76	RY*(7)F6	686	0.000012466	3.088029726 Hartree
77	RY*(8)F6	687	0.000006734	2.367819591 Hartree
78	RY*(9)F6	688	0.000005339	2.546191543 Hartree
79	RY*(10)F6	689	0.000009785	1.938372792 Hartree
80	RY*(1)F7	690	0.001102741	2.260804572 Hartree
81	RY*(2)F7	691	0.000466837	2.557633830 Hartree
82	RY*(3)F7	692	0.000241262	1.812209714 Hartree
83	RY*(4)F7	693	0.000057001	2.863337791 Hartree
84	RY*(5)F7	694	0.000049222	2.116209110 Hartree
85	RY*(6)F7	695	0.000057597	2.358412365 Hartree
86	RY*(7)F7	696	0.000008293	2.389883965 Hartree
87	RY*(8)F7	697	0.000006443	2.258636642 Hartree
88	RY*(9)F7	698	0.000013417	2.622874760 Hartree
89	RY*(10)F7	699	0.000009813	2.883876998 Hartree
90	RY*(1)F8	700	0.001111829	2.351785065 Hartree
91	RY*(2)F8	701	0.000417401	2.236289152 Hartree
92	RY*(3)F8	702	0.000196416	1.866882137 Hartree
93	RY*(4)F8	703	0.000073865	2.476285928 Hartree
94	RY*(5)F8	704	0.000037729	2.869823475 Hartree
95	RY*(6)F8	705	0.000044723	2.208631354 Hartree
96	RY*(7)F8	706	0.000012466	3.088029727 Hartree
97	RY*(8)F8	707	0.000006734	2.367819591 Hartree
98	RY*(9)F8	708	0.000005339	2.546191543 Hartree
99	RY*(10)F8	709	0.000009785	1.938372792 Hartree
100	BD*(1)C1-C2		0.094890173	0.517456328 Hartree
101	BD*(1)C1-F6		0.072851087	0.462674458 Hartree
102	BD*(1)C1-F7		0.068328446	0.476744302 Hartree
103	BD*(1)C1-F8		0.072851087	0.462674458 Hartree
104	BD*(1)C2-O3		0.069190658	0.611465758 Hartree
105	BD*(1)C2-O5		0.017957122	0.863857262 Hartree
106	BD*(2)C2-O5		0.150970234	0.160185758 Hartree
107	BD*(1)O3-H4		0.008144727	0.665555197 Hartree

NOTHING PUZZLES ME MORE THAN TIME AND SPACE; AND YET NOTHING TROUBLES ME LESS -- CHARLES LAMB (1810)