/Principal_dataset/3f 3f-f-anion_methanol_

JOB |

Atomic coordinates [Å]

39
/Principal_dataset/3f 3f-f-anion_methanol__TDDFT
S	3.596157	-1.270248	-4.226477
S	-5.775954	0.093120	-1.202763
H	1.522968	0.357321	5.222322
N	-0.002572	-3.414809	-1.610262
N	-1.080837	1.317345	-0.332777
O	1.700735	0.798220	-0.183937
O	-2.406841	-3.222104	0.173078
C	-0.207800	-1.414799	0.406698
C	1.939138	-0.880267	3.523149
C	1.495812	-1.329811	2.285218
C	1.167262	0.013557	4.256660
C	0.281594	-0.874809	1.738856
C	-0.047300	0.444398	3.757272
C	-0.474236	-0.008297	2.513018
C	-1.613607	-1.001686	0.028678
C	-2.638002	-1.980617	-0.063746
C	-1.972734	0.291023	-0.353873
N	-3.896761	-1.623217	-0.428843
N	-3.220090	0.625010	-0.733796
C	-4.144798	-0.346826	-0.741742
N	1.636625	-2.306296	-2.763295
C	2.485838	-1.272383	-2.870507
C	0.801079	-2.306801	-1.711425
N	2.528143	-0.248867	-2.012588
C	0.763419	-1.293557	-0.756583
C	1.667504	-0.223124	-0.961551
H	-0.067051	-3.962701	-2.453466
H	-0.850705	-3.367982	-1.051407
H	-0.078812	1.143718	-0.233508
H	-1.366794	2.160327	-0.802465
H	-0.286550	-2.491546	0.594909
H	2.879636	-1.228584	3.929732
O	2.185334	-2.235391	1.547732
H	-0.666701	1.129661	4.325846
H	-1.429217	0.325459	2.126473
C	3.415241	-2.713029	2.050575
H	3.794726	-3.411087	1.304851
H	3.284561	-3.239805	3.001622
H	4.137193	-1.900515	2.180542

Atom		x	y	z	BASIS SET
Atom		x	y	z	TYPE	(Primitive) / [Contracted]

MOLECULAR INFO


Multiplicity	1
Charge	-4

Bond distances

Atom1	Atom2	Distance
S1	C22	1.752560
S2	C20	1.751218
H3	C11	1.084990
N4	C23	1.372505
N4	H28	1.016780
N4	H27	1.007639
N5	H29	1.021790
N5	C17	1.359876
N5	H30	1.006477
O6	C26	1.284107
O7	C16	1.284839
C8	H31	1.095906
C8	C15	1.513227
C8	C25	1.520259
C8	C12	1.518467
C9	H32	1.082207
C9	C11	1.390235
C9	C10	1.389641
C10	O33	1.356245
C10	C12	1.407076
C11	C13	1.382090
C12	C14	1.386163
C13	C14	1.391178
C13	H34	1.084675
C14	H35	1.082958
C15	C16	1.419941
C15	C17	1.395139
C16	N18	1.358494
C17	N19	1.346026
N18	C20	1.337386
N19	C20	1.341497
N21	C22	1.342249
N21	C23	1.343342
C22	N24	1.336189
C23	C25	1.392769
N24	C26	1.358691
C25	C26	1.416054
O33	C36	1.411970
C36	H39	1.094662
C36	H38	1.095016
C36	H37	1.089678

Solvation input


CPCM Dielectric	-0.91580033Eh
Parameters:
Epsilon	32.6130
Refrac	1.3288
Epsilon function type	CPCM
Radii (Å):
S	2.4900
H	1.2000
N	1.8900
O	1.5200
C	1.8500

Total SCF energy

	Value	Units
Total Energy	-1966.69029068	Eh
Nuclear Repulsion	2782.69759457	Eh
Electronic Energy	-4749.38788526	Eh
One Electron Energy	-8331.28867396	Eh
Two Electron Energy	3581.90078871	Eh
Potential Energy	-3925.78366225	Eh
Kinetic Energy	1959.09337156	Eh
Virial Ratio	2.00387777

Population analysis

Loewdin

Mulliken atomic charges

Electrostatic moments

Charge


-4

Dipole moment

	NUC	ELEC	TOTAL
x	11.86151	-6.59162	5.26989
y	-2.81412	1.81866	-0.99546
z	19.53228	-9.61494	9.91734
μ [Debye]			28.65774

Frontier orbitals

All Homo/Lumo range:

TDHF / TDDFT

Root	Spin	Total energy (au)	∆E (eV)	∆E (cm-1)	nm	osc. strength	Transition dipole moment
Root	Spin	Total energy (au)	∆E (eV)	∆E (cm-1)	nm	osc. strength	x	y	z	Total
GS	Singlet	-72.275561	0.00	0	0.0000
1	singlet	-72.132666	3.89	31362	318.863	8.11E-03	-2.34E-01	1.72E-01	-2.52E-02	2.91E-01
2	singlet	-72.130272	3.95	31887	313.610	5.67E-02	-5.87E-01	1.76E-01	4.57E-01	7.65E-01
3	singlet	-72.126116	4.07	32799	304.887	6.21E-02	3.30E-01	-1.08E-01	7.08E-01	7.89E-01
4	singlet	-72.122635	4.16	33563	297.948	3.62E-02	-1.98E-01	-5.14E-01	-2.28E-01	5.96E-01
5	singlet	-72.121959	4.18	33712	296.636	4.09E-02	1.87E-01	5.74E-01	-1.85E-01	6.32E-01
6	singlet	-72.119741	4.24	34198	292.415	1.14E-01	-1.01	2.33E-01	1.29E-01	1.04
7	singlet	-72.118395	4.28	34494	289.910	2.93E-03	1.47E-01	6.09E-02	4.95E-02	1.67E-01
8	singlet	-72.117615	4.30	34665	288.479	1.56E-01	-8.59E-01	6.95E-02	8.63E-01	1.22
9	singlet	-72.117252	4.31	34745	287.816	1.99E-02	2.19E-01	1.72E-02	-3.74E-01	4.34E-01
10	singlet	-72.115915	4.34	35038	285.406	4.81E-02	-3.84E-01	3.59E-01	4.19E-01	6.72E-01
11	singlet	-72.114649	4.38	35316	283.160	3.36E-01	-1.71	2.98E-01	3.07E-01	1.77
12	singlet	-72.112802	4.43	35721	279.948	2.30E-02	1.90E-01	-2.34E-01	3.47E-01	4.60E-01
13	singlet	-72.111409	4.47	36027	277.571	2.89E-02	-4.86E-01	-6.27E-02	1.56E-01	5.14E-01
14	singlet	-72.110030	4.50	36330	275.259	1.28E-02	1.10E-01	-7.52E-02	3.14E-01	3.41E-01
15	singlet	-72.109773	4.51	36386	274.833	9.35E-02	-7.09E-01	-2.23E-02	-5.85E-01	9.20E-01
16	singlet	-72.107377	4.58	36912	270.918	3.24E-03	4.89E-02	6.07E-02	1.51E-01	1.70E-01
17	singlet	-72.107082	4.58	36977	270.443	1.27E-02	-6.48E-02	1.01E-01	-3.14E-01	3.37E-01
18	singlet	-72.105275	4.63	37373	267.574	2.44E-03	-9.81E-02	2.33E-02	1.06E-01	1.46E-01
19	singlet	-72.105221	4.64	37385	267.489	4.01E-02	2.86E-01	7.08E-02	5.16E-01	5.94E-01
20	singlet	-72.105033	4.64	37426	267.193	4.20E-02	-6.02E-02	5.21E-01	-3.05E-01	6.07E-01
21	singlet	-72.104650	4.65	37511	266.594	6.34E-02	1.70E-01	3.44E-01	6.39E-01	7.46E-01
22	singlet	-72.103057	4.69	37860	264.133	7.61E-02	7.73E-02	-4.85E-01	6.48E-01	8.13E-01
23	singlet	-72.101624	4.73	38175	261.957	1.60E-02	6.38E-02	-1.63E-01	-3.28E-01	3.72E-01
24	singlet	-72.100726	4.76	38372	260.611	2.12E-02	2.74E-01	3.09E-01	1.05E-01	4.27E-01
25	singlet	-72.100563	4.76	38407	260.369	1.03E-02	-2.12E-01	-1.80E-01	-1.05E-01	2.98E-01
26	singlet	-72.099984	4.78	38534	259.511	5.46E-03	-6.93E-02	5.31E-02	-1.97E-01	2.16E-01
27	singlet	-72.099600	4.79	38619	258.943	1.06E-02	1.20E-01	-9.24E-02	2.59E-01	3.01E-01
28	singlet	-72.098853	4.81	38783	257.849	2.06E-03	3.20E-02	-1.25E-01	-2.67E-02	1.32E-01
29	singlet	-72.098393	4.82	38884	257.179	9.24E-03	1.93E-01	4.59E-02	-1.97E-01	2.79E-01
30	singlet	-72.097753	4.84	39024	256.253	2.74E-04	-3.50E-02	-3.04E-02	-1.25E-02	4.81E-02
31	singlet	-72.097643	4.84	39048	256.095	4.24E-03	1.29E-01	1.37E-01	1.68E-02	1.89E-01
32	singlet	-72.096725	4.87	39250	254.781	2.48E-02	-5.29E-02	7.42E-02	-4.47E-01	4.56E-01
33	singlet	-72.096087	4.88	39390	253.875	5.73E-03	9.28E-02	1.76E-01	-8.96E-02	2.18E-01
34	singlet	-72.095239	4.91	39576	252.681	1.38E-03	-7.07E-02	6.86E-02	-4.26E-02	1.07E-01
35	singlet	-72.094785	4.92	39676	252.047	1.44E-02	3.04E-01	-8.89E-02	1.39E-01	3.46E-01
36	singlet	-72.094207	4.93	39802	251.244	6.07E-03	-2.09E-01	-5.21E-02	-6.11E-02	2.24E-01
37	singlet	-72.093904	4.94	39869	250.824	3.94E-02	3.44E-01	-8.58E-02	-4.46E-01	5.70E-01
38	singlet	-72.092829	4.97	40105	249.349	9.92E-03	2.55E-01	-4.06E-02	1.20E-01	2.85E-01
39	singlet	-72.092367	4.98	40206	248.719	7.59E-03	2.17E-01	1.19E-01	2.53E-02	2.49E-01
40	singlet	-72.091740	5.00	40344	247.871	4.07E-03	-6.40E-02	-7.51E-03	1.70E-01	1.82E-01
41	singlet	-72.091427	5.01	40413	247.450	2.80E-03	-1.37E-02	-1.32E-01	7.20E-02	1.51E-01
42	singlet	-72.090735	5.03	40565	246.523	2.45E-02	-2.36E-01	-2.22E-01	-3.05E-01	4.45E-01
43	singlet	-72.090229	5.04	40676	245.850	7.47E-02	7.30E-01	-2.13E-01	-1.61E-01	7.77E-01
44	singlet	-72.089104	5.07	40922	244.367	1.78E-02	-2.71E-01	3.00E-02	-2.62E-01	3.79E-01
45	singlet	-72.087965	5.10	41172	242.884	2.61E-02	2.06E-01	-4.91E-02	-4.04E-01	4.57E-01
46	singlet	-72.086884	5.13	41410	241.492	8.41E-02	1.03E-01	-2.21E-02	-8.11E-01	8.18E-01
47	singlet	-72.086329	5.15	41531	240.784	2.20E-02	-4.17E-01	-1.04E-02	2.96E-02	4.18E-01
48	singlet	-72.086042	5.16	41594	240.419	2.45E-02	3.59E-01	-1.70E-01	1.90E-01	4.41E-01
49	singlet	-72.085672	5.17	41676	239.951	9.54E-03	2.69E-02	-1.23E-01	2.43E-01	2.74E-01
50	singlet	-72.084934	5.19	41838	239.022	3.00E-02	3.70E-01	-1.57E-01	-2.73E-01	4.86E-01
51	singlet	-72.084039	5.21	42034	237.905	7.36E-04	-2.63E-03	-7.33E-02	-1.93E-02	7.59E-02
52	singlet	-72.083901	5.22	42064	237.733	1.33E-02	-1.03E-01	-1.60E-02	-3.05E-01	3.22E-01
53	singlet	-72.083537	5.23	42144	237.283	3.18E-03	-1.20E-02	5.76E-02	1.46E-01	1.57E-01
54	singlet	-72.083248	5.23	42208	236.926	6.70E-03	7.43E-02	6.29E-02	2.06E-01	2.28E-01
55	singlet	-72.082863	5.24	42292	236.453	3.75E-02	4.94E-01	-1.42E-01	1.66E-01	5.40E-01
56	singlet	-72.082519	5.25	42368	236.032	4.47E-04	-5.13E-02	1.26E-02	-2.61E-02	5.89E-02
57	singlet	-72.082506	5.25	42370	236.016	9.67E-04	-7.73E-02	-2.14E-02	-3.28E-02	8.66E-02
58	singlet	-72.082207	5.26	42436	235.651	8.97E-04	-1.19E-02	-7.11E-02	-4.19E-02	8.34E-02
59	singlet	-72.081877	5.27	42509	235.249	9.42E-03	1.71E-01	-8.50E-02	1.90E-01	2.70E-01
60	singlet	-72.081635	5.28	42562	234.956	5.21E-03	-1.52E-01	-1.13E-01	6.47E-02	2.00E-01
61	singlet	-72.080760	5.30	42754	233.901	7.79E-03	8.28E-02	1.92E-02	2.29E-01	2.44E-01
62	singlet	-72.080498	5.31	42811	233.586	8.49E-04	-6.81E-02	1.58E-02	-4.04E-02	8.08E-02
63	singlet	-72.080297	5.31	42855	233.346	9.12E-03	-1.41E-01	1.56E-01	-1.60E-01	2.64E-01
64	singlet	-72.079497	5.34	43031	232.394	1.95E-02	-1.84E-01	-3.38E-01	3.10E-02	3.87E-01
65	singlet	-72.079092	5.35	43120	231.914	2.44E-03	4.33E-02	-5.30E-02	1.18E-01	1.36E-01
66	singlet	-72.078777	5.35	43189	231.543	6.76E-03	-1.81E-01	9.77E-02	9.46E-02	2.27E-01
67	singlet	-72.078161	5.37	43324	230.821	8.26E-04	-3.82E-02	-6.86E-02	-1.01E-02	7.92E-02
68	singlet	-72.078119	5.37	43333	230.772	1.72E-02	-1.88E-01	4.21E-02	3.05E-01	3.61E-01
69	singlet	-72.077046	5.40	43569	229.525	1.60E-03	3.40E-02	1.05E-02	-1.04E-01	1.09E-01
70	singlet	-72.076551	5.42	43677	228.953	6.32E-03	-5.63E-02	-8.54E-03	2.10E-01	2.18E-01
71	singlet	-72.076357	5.42	43720	228.730	1.58E-03	-8.53E-02	3.93E-02	-5.55E-02	1.09E-01
72	singlet	-72.076175	5.43	43760	228.522	1.68E-03	1.37E-02	9.11E-02	6.49E-02	1.12E-01
73	singlet	-72.075517	5.44	43904	227.770	1.06E-02	1.41E-01	-2.50E-02	-2.43E-01	2.82E-01
74	singlet	-72.075240	5.45	43965	227.455	7.25E-03	1.54E-01	6.94E-02	-1.60E-01	2.33E-01
75	singlet	-72.074811	5.46	44059	226.969	7.16E-03	3.81E-02	1.51E-01	-1.70E-01	2.31E-01
76	singlet	-72.074555	5.47	44115	226.680	2.03E-02	1.01E-01	-2.11E-01	3.11E-01	3.89E-01
77	singlet	-72.074206	5.48	44192	226.287	6.41E-03	7.79E-02	4.99E-02	1.98E-01	2.18E-01
78	singlet	-72.073901	5.49	44259	225.944	1.61E-02	-2.83E-01	-1.52E-02	-1.99E-01	3.47E-01
79	singlet	-72.073437	5.50	44361	225.426	7.12E-03	1.26E-01	3.56E-02	-1.88E-01	2.29E-01
80	singlet	-72.073376	5.50	44374	225.358	3.46E-02	2.65E-01	3.45E-02	4.31E-01	5.07E-01
81	singlet	-72.072979	5.51	44461	224.917	5.98E-03	-7.94E-02	1.93E-01	1.90E-02	2.10E-01
82	singlet	-72.072506	5.53	44565	224.392	1.27E-02	-3.08E-02	2.86E-01	-1.04E-01	3.06E-01
83	singlet	-72.072106	5.54	44653	223.951	2.57E-03	1.07E-01	7.30E-02	-4.66E-02	1.37E-01
84	singlet	-72.071495	5.55	44787	223.281	8.79E-03	2.46E-01	5.27E-02	2.99E-02	2.54E-01
85	singlet	-72.071323	5.56	44825	223.092	3.51E-02	5.99E-02	-3.09E-01	3.98E-01	5.08E-01
86	singlet	-72.071124	5.56	44868	222.876	8.17E-03	-2.03E-01	-1.13E-01	-7.71E-02	2.44E-01
87	singlet	-72.070886	5.57	44921	222.616	2.89E-03	3.49E-02	-4.46E-02	-1.34E-01	1.45E-01
88	singlet	-72.069853	5.60	45147	221.499	3.06E-02	3.40E-01	3.20E-01	6.76E-02	4.72E-01
89	singlet	-72.069563	5.61	45211	221.186	3.02E-02	-2.69E-01	-2.82E-01	-2.60E-01	4.69E-01
90	singlet	-72.069425	5.61	45241	221.039	1.49E-02	2.29E-01	-2.02E-03	2.36E-01	3.29E-01
91	singlet	-72.069215	5.61	45287	220.814	2.58E-03	2.60E-02	5.09E-02	-1.24E-01	1.37E-01
92	singlet	-72.069112	5.62	45310	220.703	1.22E-02	2.96E-01	-1.31E-02	-2.40E-02	2.98E-01
93	singlet	-72.068106	5.65	45531	219.634	1.55E-03	-9.78E-02	-3.01E-02	-2.79E-02	1.06E-01
94	singlet	-72.067915	5.65	45573	219.431	1.52E-02	2.94E-01	1.04E-01	-1.10E-01	3.31E-01
95	singlet	-72.067869	5.65	45583	219.382	4.11E-03	-2.64E-02	1.68E-01	2.69E-02	1.72E-01
96	singlet	-72.067401	5.66	45686	218.889	3.43E-03	2.56E-02	-3.29E-03	-1.55E-01	1.57E-01
97	singlet	-72.067171	5.67	45736	218.648	1.13E-02	2.53E-01	-9.03E-02	-9.41E-02	2.85E-01
98	singlet	-72.067065	5.67	45759	218.536	1.43E-02	-3.09E-01	5.14E-02	-7.22E-02	3.21E-01
99	singlet	-72.066483	5.69	45887	217.929	9.93E-03	2.37E-01	5.60E-02	1.07E-01	2.67E-01
100	singlet	-72.066152	5.70	45960	217.583	2.31E-02	-1.43E-01	1.83E-01	3.34E-01	4.07E-01
101	singlet	-72.065335	5.72	46139	216.738	5.53E-03	-7.63E-02	-1.56E-01	-9.63E-02	1.98E-01
102	singlet	-72.065186	5.72	46172	216.585	1.12E-02	2.74E-01	-2.40E-02	6.43E-02	2.83E-01
103	singlet	-72.064957	5.73	46222	216.349	1.82E-02	-5.60E-02	2.56E-01	2.46E-01	3.60E-01
104	singlet	-72.064501	5.74	46322	215.882	1.84E-02	-2.25E-01	-2.10E-01	1.89E-01	3.61E-01
105	singlet	-72.064389	5.75	46347	215.768	4.17E-03	1.01E-01	1.01E-01	9.56E-02	1.72E-01
106	singlet	-72.064077	5.75	46415	215.449	1.00E-02	1.55E-01	-2.65E-02	2.16E-01	2.67E-01
107	singlet	-72.063808	5.76	46474	215.175	1.91E-02	2.95E-01	-2.12E-01	-5.60E-02	3.68E-01
108	singlet	-72.063534	5.77	46534	214.897	1.02E-03	-1.65E-02	8.33E-02	4.38E-03	8.50E-02
109	singlet	-72.063073	5.78	46636	214.431	1.22E-02	1.49E-01	-1.24E-01	-2.19E-01	2.93E-01
110	singlet	-72.062713	5.79	46714	214.069	2.50E-02	3.92E-01	-1.78E-02	1.48E-01	4.19E-01
111	singlet	-72.062555	5.80	46749	213.910	8.13E-03	7.85E-02	1.08E-01	1.98E-01	2.39E-01
112	singlet	-72.062436	5.80	46775	213.790	2.61E-02	3.99E-01	1.06E-01	-1.14E-01	4.28E-01
113	singlet	-72.062225	5.81	46822	213.579	1.57E-02	1.49E-02	-2.94E-01	1.54E-01	3.32E-01
114	singlet	-72.062103	5.81	46848	213.456	4.13E-02	-5.09E-01	-7.95E-02	1.57E-01	5.39E-01
115	singlet	-72.061903	5.81	46892	213.257	8.88E-03	-1.05E-01	-1.27E-01	-1.87E-01	2.49E-01
116	singlet	-72.061326	5.83	47019	212.682	3.66E-03	-8.91E-02	1.13E-01	7.01E-02	1.60E-01
117	singlet	-72.061046	5.84	47080	212.405	1.44E-02	-1.09E-01	1.80E-01	-2.37E-01	3.17E-01
118	singlet	-72.060810	5.84	47132	212.172	4.20E-03	-1.68E-01	-1.49E-04	-2.99E-02	1.71E-01
119	singlet	-72.060744	5.85	47147	212.106	1.90E-02	1.52E-02	3.02E-01	2.02E-01	3.64E-01
120	singlet	-72.060259	5.86	47253	211.628	8.36E-04	-2.02E-02	-9.18E-03	7.30E-02	7.62E-02
121	singlet	-72.060021	5.87	47305	211.395	1.73E-02	-6.48E-02	-3.36E-01	-5.38E-02	3.47E-01
122	singlet	-72.059753	5.87	47364	211.132	2.43E-02	2.49E-01	-6.09E-02	-3.21E-01	4.11E-01
123	singlet	-72.059311	5.88	47461	210.700	2.87E-02	3.80E-01	-2.33E-01	-1.51E-02	4.46E-01
124	singlet	-72.058860	5.90	47560	210.262	5.89E-02	-5.97E-01	-3.44E-02	-2.23E-01	6.38E-01
125	singlet	-72.058822	5.90	47569	210.225	1.54E-02	-1.18E-01	2.92E-01	-8.50E-02	3.26E-01
126	singlet	-72.058694	5.90	47597	210.101	3.13E-02	-3.70E-01	2.66E-01	9.48E-02	4.65E-01
127	singlet	-72.058185	5.92	47708	209.609	4.61E-03	7.91E-02	-1.14E-01	-1.11E-01	1.78E-01
128	singlet	-72.057864	5.92	47779	209.300	2.07E-03	9.62E-02	7.08E-02	-1.51E-03	1.19E-01
129	singlet	-72.057758	5.93	47802	209.199	1.25E-02	-1.02E-01	2.75E-01	5.21E-03	2.94E-01
130	singlet	-72.057722	5.93	47810	209.163	1.41E-02	2.94E-01	-9.55E-02	3.83E-02	3.11E-01
131	singlet	-72.057489	5.93	47861	208.940	2.05E-03	-1.15E-01	-2.70E-02	-7.17E-03	1.18E-01
132	singlet	-72.057117	5.94	47943	208.584	2.73E-03	1.29E-01	-3.84E-02	-2.25E-02	1.36E-01
133	singlet	-72.057045	5.95	47959	208.516	1.70E-02	3.08E-01	4.05E-02	-1.41E-01	3.41E-01
134	singlet	-72.056756	5.95	48022	208.240	6.76E-02	5.78E-01	2.20E-01	-2.82E-01	6.80E-01
135	singlet	-72.056297	5.97	48123	207.804	6.70E-02	-5.08E-01	2.05E-01	3.97E-01	6.77E-01
136	singlet	-72.055955	5.98	48198	207.480	3.10E-03	-1.02E-01	1.16E-02	1.02E-01	1.45E-01
137	singlet	-72.055540	5.99	48289	207.090	1.25E-02	1.42E-01	5.84E-02	-2.48E-01	2.92E-01
138	singlet	-72.055070	6.00	48392	206.648	1.09E-02	1.20E-01	2.14E-01	1.19E-01	2.73E-01
139	singlet	-72.054917	6.00	48426	206.504	2.29E-02	3.49E-01	-1.83E-01	-1.86E-02	3.95E-01
140	singlet	-72.054701	6.01	48473	206.303	1.82E-02	-1.17E-01	-1.97E-03	3.31E-01	3.51E-01
141	singlet	-72.054548	6.01	48506	206.160	3.21E-02	3.01E-01	-2.85E-01	2.13E-01	4.67E-01
142	singlet	-72.054166	6.02	48590	205.804	2.09E-03	6.99E-02	-5.59E-02	-7.84E-02	1.19E-01
143	singlet	-72.053846	6.03	48661	205.507	4.09E-02	4.00E-01	-2.69E-01	2.10E-01	5.26E-01
144	singlet	-72.053656	6.04	48702	205.331	5.16E-03	1.04E-02	2.42E-02	-1.84E-01	1.86E-01
145	singlet	-72.053516	6.04	48733	205.202	4.66E-02	2.52E-01	-3.19E-01	-3.86E-01	5.61E-01
146	singlet	-72.053256	6.05	48790	204.961	9.61E-03	-8.13E-02	-5.78E-02	2.34E-01	2.54E-01
147	singlet	-72.052408	6.07	48976	204.183	3.70E-02	4.84E-01	9.81E-02	7.11E-02	4.99E-01
148	singlet	-72.052096	6.08	49045	203.898	1.93E-02	-2.60E-01	-1.84E-01	-1.67E-01	3.60E-01
149	singlet	-72.051833	6.09	49102	203.658	7.83E-03	1.74E-01	-1.46E-01	-2.12E-02	2.29E-01
150	singlet	-72.051684	6.09	49135	203.523	2.51E-02	1.64E-01	2.32E-01	-2.94E-01	4.10E-01
151	singlet	-72.051406	6.10	49196	203.270	7.56E-03	-1.85E-01	5.39E-02	1.14E-01	2.24E-01
152	singlet	-72.051278	6.10	49224	203.154	2.86E-02	1.56E-01	1.20E-01	-3.91E-01	4.38E-01
153	singlet	-72.050999	6.11	49285	202.902	1.41E-02	-2.89E-01	-9.37E-02	-4.60E-02	3.07E-01
154	singlet	-72.050626	6.12	49367	202.565	1.12E-02	-6.06E-02	-2.29E-01	1.35E-01	2.73E-01
155	singlet	-72.050571	6.12	49379	202.516	1.17E-02	1.34E-01	-2.05E-01	1.33E-01	2.79E-01
156	singlet	-72.050402	6.13	49417	202.363	2.58E-02	-2.59E-01	-3.24E-01	6.06E-03	4.15E-01
157	singlet	-72.050176	6.13	49466	202.161	1.40E-02	-3.16E-03	-2.87E-01	1.03E-01	3.05E-01
158	singlet	-72.050090	6.14	49485	202.083	1.47E-02	-1.57E-01	-2.61E-01	-6.99E-02	3.13E-01
159	singlet	-72.049655	6.15	49581	201.694	3.83E-03	-7.13E-02	-1.87E-03	1.42E-01	1.59E-01
160	singlet	-72.049441	6.15	49627	201.503	5.41E-04	4.50E-02	3.30E-02	-2.16E-02	5.99E-02
161	singlet	-72.049414	6.15	49633	201.479	1.64E-02	-2.05E-01	1.89E-01	-1.75E-01	3.30E-01
162	singlet	-72.049186	6.16	49683	201.276	9.23E-03	2.03E-01	9.76E-02	-1.00E-01	2.47E-01
163	singlet	-72.049087	6.16	49705	201.189	2.44E-02	1.30E-01	3.80E-01	-2.51E-02	4.02E-01
164	singlet	-72.048854	6.17	49756	200.982	8.15E-03	1.30E-01	-1.16E-01	1.52E-01	2.32E-01
165	singlet	-72.048508	6.18	49832	200.676	7.41E-03	-1.15E-01	6.63E-02	1.76E-01	2.21E-01
166	singlet	-72.047973	6.19	49950	200.204	4.00E-02	-3.67E-01	7.75E-02	3.50E-01	5.13E-01
167	singlet	-72.047798	6.20	49988	200.050	3.86E-02	3.59E-01	3.47E-01	-6.81E-02	5.04E-01
168	singlet	-72.047607	6.20	50030	199.882	4.54E-02	-2.33E-01	-3.89E-01	-3.05E-01	5.47E-01
169	singlet	-72.047564	6.20	50039	199.844	1.63E-02	-2.31E-01	-1.55E-01	1.72E-01	3.28E-01
170	singlet	-72.047252	6.21	50108	199.572	2.52E-03	3.75E-02	1.23E-01	1.10E-04	1.28E-01
171	singlet	-72.047082	6.22	50145	199.423	1.04E-03	-7.66E-02	2.57E-02	-1.79E-02	8.28E-02
172	singlet	-72.046952	6.22	50174	199.310	2.25E-02	-1.02E-01	3.01E-01	2.15E-01	3.84E-01
173	singlet	-72.046832	6.22	50200	199.205	5.77E-02	-3.46E-01	-5.07E-01	-3.18E-02	6.15E-01
174	singlet	-72.046138	6.24	50352	198.603	6.60E-03	4.91E-02	4.38E-02	1.97E-01	2.07E-01
175	singlet	-72.046039	6.25	50374	198.517	3.38E-03	1.05E-01	-6.52E-02	-8.19E-02	1.48E-01
176	singlet	-72.045868	6.25	50412	198.369	2.99E-02	2.72E-01	3.07E-01	1.62E-01	4.42E-01
177	singlet	-72.045547	6.26	50482	198.092	6.81E-03	1.08E-02	-1.17E-01	-1.75E-01	2.10E-01
178	singlet	-72.045227	6.27	50552	197.817	1.77E-03	5.83E-02	8.55E-02	2.87E-02	1.07E-01
179	singlet	-72.045042	6.27	50593	197.658	3.62E-03	5.05E-02	-4.50E-02	1.37E-01	1.53E-01
180	singlet	-72.044750	6.28	50657	197.408	5.23E-03	1.28E-01	1.25E-01	4.30E-02	1.84E-01
181	singlet	-72.044686	6.28	50671	197.353	5.68E-03	-1.19E-01	-1.18E-01	9.35E-02	1.92E-01
182	singlet	-72.044509	6.29	50710	197.202	3.87E-02	6.61E-02	4.89E-01	8.53E-02	5.01E-01
183	singlet	-72.044155	6.30	50787	196.901	2.72E-02	-2.47E-01	-3.32E-01	-6.82E-02	4.20E-01
184	singlet	-72.043901	6.30	50843	196.685	1.78E-02	-1.82E-01	2.74E-01	-8.38E-02	3.40E-01
185	singlet	-72.043696	6.31	50888	196.511	6.60E-03	-1.03E-01	-8.14E-02	-1.59E-01	2.06E-01
186	singlet	-72.043312	6.32	50973	196.186	2.09E-03	6.13E-02	-2.37E-02	9.60E-02	1.16E-01
187	singlet	-72.043110	6.33	51017	196.015	2.03E-02	-2.80E-01	-2.25E-01	-4.74E-02	3.62E-01
188	singlet	-72.042994	6.33	51042	195.918	9.22E-03	1.55E-01	-3.28E-02	-1.85E-01	2.43E-01
189	singlet	-72.042655	6.34	51117	195.632	7.95E-03	9.32E-03	-2.25E-01	2.26E-02	2.26E-01
190	singlet	-72.042632	6.34	51122	195.613	1.05E-02	-8.20E-03	1.22E-01	-2.29E-01	2.60E-01
191	singlet	-72.042391	6.34	51175	195.411	6.39E-03	5.90E-02	1.72E-01	-8.90E-02	2.02E-01
192	singlet	-72.041986	6.36	51264	195.072	3.02E-02	-1.60E-01	4.05E-01	-6.45E-02	4.40E-01
193	singlet	-72.041785	6.36	51308	194.904	1.87E-02	-7.13E-03	-3.16E-01	1.41E-01	3.46E-01
194	singlet	-72.041611	6.37	51346	194.759	1.06E-02	-6.67E-02	-3.74E-02	-2.49E-01	2.61E-01
195	singlet	-72.041475	6.37	51376	194.647	1.82E-03	-5.48E-02	9.14E-02	1.85E-02	1.08E-01
196	singlet	-72.041336	6.37	51406	194.530	4.61E-03	-1.23E-01	-1.11E-01	4.22E-02	1.71E-01
197	singlet	-72.041149	6.38	51447	194.376	3.08E-02	-1.53E-01	4.00E-01	1.15E-01	4.44E-01
198	singlet	-72.041004	6.38	51479	194.255	1.00E-02	-3.42E-02	-1.87E-01	-1.68E-01	2.54E-01
199	singlet	-72.040782	6.39	51528	194.072	1.78E-02	7.36E-02	1.86E-01	2.71E-01	3.37E-01
200	singlet	-72.040538	6.40	51581	193.871	4.07E-02	1.33E-01	4.83E-01	9.06E-02	5.09E-01

eV cm-1 nm

Bandwidth:

min X:

max X:

Dominant contributions

SINGLET

1 singlet∆E (eV): 3.89Osc. strength : 8.11E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
103a	-4.6954	107a	0.5279	3.56
104a	-4.3544	105a	0.2614	84.17
104a	-4.3544	108a	0.5519	6.37

2 singlet∆E (eV): 3.95Osc. strength : 5.67E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
100a	-5.4336	106a	0.3120	1.16
103a	-4.6954	107a	0.5279	1.21
104a	-4.3544	105a	0.2614	2.69
104a	-4.3544	106a	0.3120	88.44
104a	-4.3544	108a	0.5519	3.21

3 singlet∆E (eV): 4.07Osc. strength : 6.21E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	3.05
101a	-4.7144	106a	0.3120	1.11
101a	-4.7144	108a	0.5519	1.15
103a	-4.6954	105a	0.2614	18.37
103a	-4.6954	106a	0.3120	6.49
103a	-4.6954	108a	0.5519	5.88
104a	-4.3544	107a	0.5279	48.19
104a	-4.3544	108a	0.5519	2.14
104a	-4.3544	109a	0.5964	1.55
104a	-4.3544	110a	0.7633	4.5

4 singlet∆E (eV): 4.16Osc. strength : 3.62E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	16.33
101a	-4.7144	106a	0.3120	5.46
101a	-4.7144	107a	0.5279	9.8
101a	-4.7144	108a	0.5519	2.85
101a	-4.7144	109a	0.5964	1.03
101a	-4.7144	110a	0.7633	3.84
101a	-4.7144	113a	1.0028	1.23
102a	-4.7102	105a	0.2614	17.36
102a	-4.7102	106a	0.3120	5.85
102a	-4.7102	107a	0.5279	10.27

5 singlet∆E (eV): 4.18Osc. strength : 4.09E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	11.78
101a	-4.7144	106a	0.3120	5.1
101a	-4.7144	107a	0.5279	9.25
101a	-4.7144	108a	0.5519	8.47
101a	-4.7144	110a	0.7633	1.11
101a	-4.7144	112a	0.9005	3.13
102a	-4.7102	105a	0.2614	16.47
102a	-4.7102	106a	0.3120	6.21
102a	-4.7102	107a	0.5279	11.27
102a	-4.7102	108a	0.5519	10.91

6 singlet∆E (eV): 4.24Osc. strength : 1.14E-01

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
100a	-5.4336	109a	0.5964	1.19
103a	-4.6954	105a	0.2614	1.7
104a	-4.3544	107a	0.5279	12.27
104a	-4.3544	108a	0.5519	1.4
104a	-4.3544	109a	0.5964	71.54
104a	-4.3544	110a	0.7633	1.25
104a	-4.3544	111a	0.8241	4.79

7 singlet∆E (eV): 4.28Osc. strength : 2.93E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	3.72
101a	-4.7144	106a	0.3120	10.79
101a	-4.7144	110a	0.7633	3
101a	-4.7144	111a	0.8241	10.34
101a	-4.7144	114a	1.0883	1.7
101a	-4.7144	115a	1.1307	4.18
101a	-4.7144	117a	1.2361	6.67
102a	-4.7102	105a	0.2614	4.17
102a	-4.7102	106a	0.3120	11.62
102a	-4.7102	110a	0.7633	2.86

8 singlet∆E (eV): 4.30Osc. strength : 1.56E-01

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	111a	0.8241	4.46
101a	-4.7144	112a	0.9005	1.2
101a	-4.7144	115a	1.1307	1.82
102a	-4.7102	111a	0.8241	3.2
102a	-4.7102	115a	1.1307	1.58
103a	-4.6954	105a	0.2614	9.52
103a	-4.6954	106a	0.3120	14.84
103a	-4.6954	110a	0.7633	1.03
104a	-4.3544	105a	0.2614	2.09
104a	-4.3544	106a	0.3120	1.63

Warning: Σc²_i < 50 %

9 singlet∆E (eV): 4.31Osc. strength : 1.99E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	109a	0.5964	1.71
101a	-4.7144	111a	0.8241	20.4
101a	-4.7144	112a	0.9005	3.68
101a	-4.7144	115a	1.1307	5.62
101a	-4.7144	117a	1.2361	1.95
102a	-4.7102	109a	0.5964	1.92
102a	-4.7102	111a	0.8241	20.81
102a	-4.7102	112a	0.9005	4.58
102a	-4.7102	115a	1.1307	7.99
102a	-4.7102	117a	1.2361	3.08

10 singlet∆E (eV): 4.34Osc. strength : 4.81E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	1.52
101a	-4.7144	106a	0.3120	1.36
103a	-4.6954	105a	0.2614	13.98
103a	-4.6954	106a	0.3120	18.35
103a	-4.6954	107a	0.5279	2.79
103a	-4.6954	110a	0.7633	1.06
103a	-4.6954	112a	0.9005	1.06
104a	-4.3544	105a	0.2614	5.41
104a	-4.3544	106a	0.3120	3.54
104a	-4.3544	107a	0.5279	1.67

11 singlet∆E (eV): 4.38Osc. strength : 3.36E-01

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	1.26
101a	-4.7144	106a	0.3120	1.33
102a	-4.7102	111a	0.8241	2.19
103a	-4.6954	105a	0.2614	7.75
103a	-4.6954	106a	0.3120	7.99
103a	-4.6954	107a	0.5279	3.53
103a	-4.6954	115a	1.1307	1.55
103a	-4.6954	117a	1.2361	1.71
104a	-4.3544	106a	0.3120	1.18
104a	-4.3544	109a	0.5964	3.19

Warning: Σc²_i < 50 %

12 singlet∆E (eV): 4.43Osc. strength : 2.30E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
103a	-4.6954	105a	0.2614	1.21
103a	-4.6954	106a	0.3120	5.85
103a	-4.6954	108a	0.5519	1.08
104a	-4.3544	107a	0.5279	16.96
104a	-4.3544	108a	0.5519	3.65
104a	-4.3544	109a	0.5964	7.63
104a	-4.3544	110a	0.7633	47.99
104a	-4.3544	111a	0.8241	3.63
104a	-4.3544	114a	1.0883	1.18

13 singlet∆E (eV): 4.47Osc. strength : 2.89E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	3.03
101a	-4.7144	106a	0.3120	1.09
103a	-4.6954	105a	0.2614	13.91
103a	-4.6954	106a	0.3120	16.65
103a	-4.6954	107a	0.5279	5.56
103a	-4.6954	108a	0.5519	3.35
103a	-4.6954	110a	0.7633	1.24
104a	-4.3544	107a	0.5279	12.91
104a	-4.3544	108a	0.5519	13.13
104a	-4.3544	109a	0.5964	1.88

14 singlet∆E (eV): 4.50Osc. strength : 1.28E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	15.42
101a	-4.7144	106a	0.3120	25.57
102a	-4.7102	105a	0.2614	23.47
102a	-4.7102	106a	0.3120	26.5
103a	-4.6954	105a	0.2614	1.73

15 singlet∆E (eV): 4.51Osc. strength : 9.35E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	5.06
101a	-4.7144	107a	0.5279	1.63
102a	-4.7102	106a	0.3120	1.94
103a	-4.6954	105a	0.2614	6.93
103a	-4.6954	106a	0.3120	7.2
103a	-4.6954	107a	0.5279	11.02
103a	-4.6954	108a	0.5519	2.29
103a	-4.6954	112a	0.9005	3.82
103a	-4.6954	113a	1.0028	1.4
104a	-4.3544	108a	0.5519	4.74

Warning: Σc²_i < 50 %

16 singlet∆E (eV): 4.58Osc. strength : 3.24E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	6.72
101a	-4.7144	106a	0.3120	4.13
101a	-4.7144	111a	0.8241	1.21
101a	-4.7144	117a	1.2361	1.02
102a	-4.7102	105a	0.2614	4.91
102a	-4.7102	106a	0.3120	6.31
102a	-4.7102	110a	0.7633	1.83
102a	-4.7102	111a	0.8241	2.05
103a	-4.6954	105a	0.2614	4.76
103a	-4.6954	107a	0.5279	3.63

Warning: Σc²_i < 50 %

17 singlet∆E (eV): 4.58Osc. strength : 1.27E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	9.68
101a	-4.7144	106a	0.3120	8.89
101a	-4.7144	108a	0.5519	2.04
101a	-4.7144	110a	0.7633	4.68
101a	-4.7144	111a	0.8241	4.52
101a	-4.7144	115a	1.1307	1.11
102a	-4.7102	105a	0.2614	8.79
102a	-4.7102	106a	0.3120	4.17
102a	-4.7102	108a	0.5519	1.16
102a	-4.7102	110a	0.7633	3.63

Warning: Σc²_i < 50 %

18 singlet∆E (eV): 4.63Osc. strength : 2.44E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	106a	0.3120	6.1
101a	-4.7144	107a	0.5279	7.11
101a	-4.7144	111a	0.8241	1.43
101a	-4.7144	112a	0.9005	1.18
101a	-4.7144	117a	1.2361	1.58
102a	-4.7102	105a	0.2614	3.7
102a	-4.7102	106a	0.3120	13.17
102a	-4.7102	107a	0.5279	3.41
102a	-4.7102	111a	0.8241	2.38
102a	-4.7102	113a	1.0028	2.2

Warning: Σc²_i < 50 %

19 singlet∆E (eV): 4.64Osc. strength : 4.01E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	5.59
101a	-4.7144	106a	0.3120	9.46
101a	-4.7144	107a	0.5279	1.59
101a	-4.7144	112a	0.9005	3.02
101a	-4.7144	113a	1.0028	1.84
102a	-4.7102	105a	0.2614	5.76
102a	-4.7102	106a	0.3120	3.81
102a	-4.7102	107a	0.5279	1.62
102a	-4.7102	108a	0.5519	2.26
102a	-4.7102	109a	0.5964	1.24

Warning: Σc²_i < 50 %

20 singlet∆E (eV): 4.64Osc. strength : 4.20E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	2.46
101a	-4.7144	106a	0.3120	3.72
101a	-4.7144	108a	0.5519	1.38
101a	-4.7144	109a	0.5964	3.93
101a	-4.7144	110a	0.7633	1.37
101a	-4.7144	112a	0.9005	3.14
101a	-4.7144	118a	1.2697	1.01
102a	-4.7102	105a	0.2614	7.01
102a	-4.7102	106a	0.3120	10.98
102a	-4.7102	107a	0.5279	1.66

Warning: Σc²_i < 50 %

21 singlet∆E (eV): 4.65Osc. strength : 6.34E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	6.77
101a	-4.7144	106a	0.3120	8.94
101a	-4.7144	107a	0.5279	1.89
101a	-4.7144	108a	0.5519	1.06
101a	-4.7144	111a	0.8241	2.11
101a	-4.7144	113a	1.0028	4.44
101a	-4.7144	114a	1.0883	1.09
102a	-4.7102	105a	0.2614	1.79
102a	-4.7102	106a	0.3120	1.45
102a	-4.7102	107a	0.5279	6.67

Warning: Σc²_i < 50 %

22 singlet∆E (eV): 4.69Osc. strength : 7.61E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	111a	0.8241	1.15
102a	-4.7102	109a	0.5964	1.17
102a	-4.7102	110a	0.7633	1.06
103a	-4.6954	108a	0.5519	1.08
103a	-4.6954	109a	0.5964	17.62
103a	-4.6954	110a	0.7633	2.02
103a	-4.6954	111a	0.8241	19.73
103a	-4.6954	118a	1.2697	1.16
104a	-4.3544	112a	0.9005	2.56
104a	-4.3544	113a	1.0028	1.22

Warning: Σc²_i < 50 %

23 singlet∆E (eV): 4.73Osc. strength : 1.60E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	107a	0.5279	1.58
103a	-4.6954	107a	0.5279	8.77
103a	-4.6954	108a	0.5519	1.54
103a	-4.6954	109a	0.5964	3.66
103a	-4.6954	110a	0.7633	6.11
103a	-4.6954	111a	0.8241	9.42
103a	-4.6954	114a	1.0883	1.63
103a	-4.6954	119a	1.3197	4.45
104a	-4.3544	107a	0.5279	1.16
104a	-4.3544	113a	1.0028	7.58

Warning: Σc²_i < 50 %

24 singlet∆E (eV): 4.76Osc. strength : 2.12E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	107a	0.5279	1.45
101a	-4.7144	109a	0.5964	2.88
101a	-4.7144	112a	0.9005	1.44
102a	-4.7102	107a	0.5279	9.95
102a	-4.7102	108a	0.5519	7.18
103a	-4.6954	107a	0.5279	13.09
103a	-4.6954	108a	0.5519	2.85
103a	-4.6954	109a	0.5964	7.25
103a	-4.6954	110a	0.7633	4.38
103a	-4.6954	113a	1.0028	1.4

25 singlet∆E (eV): 4.76Osc. strength : 1.03E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	107a	0.5279	22.82
101a	-4.7144	108a	0.5519	8.78
101a	-4.7144	109a	0.5964	1.14
102a	-4.7102	107a	0.5279	19.25
102a	-4.7102	108a	0.5519	5.02
102a	-4.7102	109a	0.5964	4.41
102a	-4.7102	111a	0.8241	1.35
102a	-4.7102	112a	0.9005	2.12
103a	-4.6954	107a	0.5279	1.87
103a	-4.6954	109a	0.5964	1.34

26 singlet∆E (eV): 4.78Osc. strength : 5.46E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	107a	0.5279	6.75
101a	-4.7144	108a	0.5519	14.29
101a	-4.7144	114a	1.0883	1.18
102a	-4.7102	107a	0.5279	6.97
102a	-4.7102	108a	0.5519	21.86
102a	-4.7102	109a	0.5964	1.28
102a	-4.7102	114a	1.0883	1.49
102a	-4.7102	117a	1.2361	1.28
103a	-4.6954	107a	0.5279	2
103a	-4.6954	108a	0.5519	26.92

27 singlet∆E (eV): 4.79Osc. strength : 1.06E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	107a	0.5279	2.18
101a	-4.7144	108a	0.5519	17.58
102a	-4.7102	107a	0.5279	1.44
102a	-4.7102	108a	0.5519	7.83
103a	-4.6954	105a	0.2614	1.99
103a	-4.6954	106a	0.3120	1.5
103a	-4.6954	108a	0.5519	28.55
103a	-4.6954	110a	0.7633	1.68
103a	-4.6954	114a	1.0883	1.14
103a	-4.6954	120a	1.4051	1.13

28 singlet∆E (eV): 4.81Osc. strength : 2.06E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	107a	0.5279	7.44
101a	-4.7144	108a	0.5519	2.31
101a	-4.7144	109a	0.5964	31.49
102a	-4.7102	107a	0.5279	4.37
102a	-4.7102	109a	0.5964	36.66
103a	-4.6954	107a	0.5279	1.11
103a	-4.6954	109a	0.5964	6.94

29 singlet∆E (eV): 4.82Osc. strength : 9.24E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	110a	0.7633	4.79
102a	-4.7102	109a	0.5964	4.91
103a	-4.6954	107a	0.5279	1.25
103a	-4.6954	108a	0.5519	2.49
103a	-4.6954	109a	0.5964	1.47
103a	-4.6954	110a	0.7633	20.83
103a	-4.6954	112a	0.9005	5.74
104a	-4.3544	110a	0.7633	1.92
104a	-4.3544	112a	0.9005	3.21
104a	-4.3544	113a	1.0028	18.17

30 singlet∆E (eV): 4.84Osc. strength : 2.74E-04

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	108a	0.5519	4.08
101a	-4.7144	109a	0.5964	31.32
101a	-4.7144	113a	1.0028	1.43
102a	-4.7102	107a	0.5279	2.86
102a	-4.7102	108a	0.5519	6.66
102a	-4.7102	109a	0.5964	34.22
102a	-4.7102	110a	0.7633	5.69
102a	-4.7102	114a	1.0883	1.05
104a	-4.3544	112a	0.9005	1.37
104a	-4.3544	115a	1.1307	1.27

31 singlet∆E (eV): 4.84Osc. strength : 4.24E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	107a	0.5279	9.21
101a	-4.7144	108a	0.5519	5.17
101a	-4.7144	109a	0.5964	14.69
101a	-4.7144	110a	0.7633	11.53
101a	-4.7144	111a	0.8241	1.99
101a	-4.7144	116a	1.1883	3.4
102a	-4.7102	107a	0.5279	5.76
102a	-4.7102	108a	0.5519	1.64
102a	-4.7102	109a	0.5964	1.12
102a	-4.7102	110a	0.7633	7

32 singlet∆E (eV): 4.87Osc. strength : 2.48E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	110a	0.7633	2.8
101a	-4.7144	111a	0.8241	1.77
102a	-4.7102	109a	0.5964	1.06
102a	-4.7102	110a	0.7633	1.82
103a	-4.6954	110a	0.7633	6.84
103a	-4.6954	111a	0.8241	8.39
103a	-4.6954	112a	0.9005	1.89
103a	-4.6954	113a	1.0028	9.14
103a	-4.6954	114a	1.0883	1.66
103a	-4.6954	115a	1.1307	1.98

Warning: Σc²_i < 50 %

33 singlet∆E (eV): 4.88Osc. strength : 5.73E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	105a	0.2614	1.31
101a	-4.7144	106a	0.3120	1.1
101a	-4.7144	107a	0.5279	2.99
101a	-4.7144	108a	0.5519	11.75
101a	-4.7144	110a	0.7633	8.26
101a	-4.7144	112a	0.9005	1.68
101a	-4.7144	113a	1.0028	5.4
101a	-4.7144	114a	1.0883	2.44
101a	-4.7144	118a	1.2697	4.92
101a	-4.7144	120a	1.4051	1.59

Warning: Σc²_i < 50 %

34 singlet∆E (eV): 4.91Osc. strength : 1.38E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	110a	0.7633	1.38
101a	-4.7144	111a	0.8241	1.65
101a	-4.7144	113a	1.0028	7.32
101a	-4.7144	114a	1.0883	4.09
101a	-4.7144	115a	1.1307	3.36
101a	-4.7144	116a	1.1883	3.21
101a	-4.7144	117a	1.2361	4.11
101a	-4.7144	118a	1.2697	4.28
101a	-4.7144	119a	1.3197	1.52
101a	-4.7144	120a	1.4051	4.5

Warning: Σc²_i < 50 %

35 singlet∆E (eV): 4.92Osc. strength : 1.44E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	109a	0.5964	1.83
101a	-4.7144	111a	0.8241	2.58
101a	-4.7144	120a	1.4051	1.93
102a	-4.7102	108a	0.5519	1.47
102a	-4.7102	110a	0.7633	3
102a	-4.7102	112a	0.9005	3.02
102a	-4.7102	114a	1.0883	1.16
102a	-4.7102	115a	1.1307	2.35
102a	-4.7102	117a	1.2361	1.05
102a	-4.7102	118a	1.2697	1.68

Warning: Σc²_i < 50 %

36 singlet∆E (eV): 4.93Osc. strength : 6.07E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	108a	0.5519	2.05
101a	-4.7144	109a	0.5964	2.11
101a	-4.7144	110a	0.7633	15
101a	-4.7144	112a	0.9005	5.99
101a	-4.7144	115a	1.1307	4.17
101a	-4.7144	117a	1.2361	2.02
101a	-4.7144	119a	1.3197	1.33
102a	-4.7102	108a	0.5519	1.2
102a	-4.7102	109a	0.5964	2.85
102a	-4.7102	110a	0.7633	13.09

Warning: Σc²_i < 50 %

37 singlet∆E (eV): 4.94Osc. strength : 3.94E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
100a	-5.4336	105a	0.2614	2.12
101a	-4.7144	111a	0.8241	2.73
101a	-4.7144	112a	0.9005	3.34
103a	-4.6954	111a	0.8241	8.36
103a	-4.6954	112a	0.9005	4.76
103a	-4.6954	115a	1.1307	3.06
104a	-4.3544	111a	0.8241	2.14
104a	-4.3544	112a	0.9005	2.18
104a	-4.3544	113a	1.0028	1.64
104a	-4.3544	114a	1.0883	3.01

Warning: Σc²_i < 50 %

38 singlet∆E (eV): 4.97Osc. strength : 9.92E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	110a	0.7633	2.43
101a	-4.7144	112a	0.9005	1.76
101a	-4.7144	113a	1.0028	5.24
101a	-4.7144	114a	1.0883	2.87
101a	-4.7144	115a	1.1307	1.42
101a	-4.7144	121a	1.5828	2.31
102a	-4.7102	110a	0.7633	4.84
102a	-4.7102	111a	0.8241	1.2
102a	-4.7102	112a	0.9005	2.52
102a	-4.7102	113a	1.0028	4.25

Warning: Σc²_i < 50 %

39 singlet∆E (eV): 4.98Osc. strength : 7.59E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	110a	0.7633	5.07
101a	-4.7144	111a	0.8241	1.72
101a	-4.7144	113a	1.0028	1.41
101a	-4.7144	114a	1.0883	2.69
101a	-4.7144	119a	1.3197	4.4
102a	-4.7102	110a	0.7633	5.51
102a	-4.7102	111a	0.8241	1.12
102a	-4.7102	112a	0.9005	1.59
102a	-4.7102	113a	1.0028	1.79
102a	-4.7102	114a	1.0883	2.95

Warning: Σc²_i < 50 %

40 singlet∆E (eV): 5.00Osc. strength : 4.07E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
100a	-5.4336	105a	0.2614	49.19
100a	-5.4336	106a	0.3120	6.13
100a	-5.4336	108a	0.5519	1.51
101a	-4.7144	112a	0.9005	1.07
103a	-4.6954	107a	0.5279	1.23
103a	-4.6954	112a	0.9005	4.8
103a	-4.6954	117a	1.2361	1.84
104a	-4.3544	112a	0.9005	1.76
104a	-4.3544	113a	1.0028	4.88
104a	-4.3544	115a	1.1307	3.35

41 singlet∆E (eV): 5.01Osc. strength : 2.80E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
100a	-5.4336	105a	0.2614	2.4
101a	-4.7144	107a	0.5279	1.02
101a	-4.7144	110a	0.7633	6.65
101a	-4.7144	115a	1.1307	2.1
101a	-4.7144	116a	1.1883	2.83
101a	-4.7144	117a	1.2361	2.35
101a	-4.7144	119a	1.3197	11.48
101a	-4.7144	120a	1.4051	2.86
102a	-4.7102	107a	0.5279	1.01
102a	-4.7102	108a	0.5519	1.29

Warning: Σc²_i < 50 %

42 singlet∆E (eV): 5.03Osc. strength : 2.45E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
98a	-5.7542	105a	0.2614	1.92
98a	-5.7542	106a	0.3120	2.3
98a	-5.7542	109a	0.5964	1.07
100a	-5.4336	105a	0.2614	1.94
100a	-5.4336	106a	0.3120	34.88
100a	-5.4336	108a	0.5519	1.32
101a	-4.7144	110a	0.7633	1.06
103a	-4.6954	107a	0.5279	1.25
103a	-4.6954	110a	0.7633	6.81
103a	-4.6954	112a	0.9005	2.42

43 singlet∆E (eV): 5.04Osc. strength : 7.47E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
99a	-5.7030	106a	0.3120	1.26
99a	-5.7030	107a	0.5279	1.56
100a	-5.4336	105a	0.2614	16.91
100a	-5.4336	106a	0.3120	14.13
100a	-5.4336	108a	0.5519	1.06
100a	-5.4336	111a	0.8241	2.62
101a	-4.7144	110a	0.7633	1.8
101a	-4.7144	115a	1.1307	2.92
103a	-4.6954	110a	0.7633	2.57
103a	-4.6954	112a	0.9005	4.2

Warning: Σc²_i < 50 %

44 singlet∆E (eV): 5.07Osc. strength : 1.78E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
99a	-5.7030	105a	0.2614	1.48
100a	-5.4336	105a	0.2614	4.9
100a	-5.4336	106a	0.3120	13.14
100a	-5.4336	107a	0.5279	1.25
100a	-5.4336	108a	0.5519	1.55
101a	-4.7144	110a	0.7633	3.21
101a	-4.7144	113a	1.0028	1.08
101a	-4.7144	115a	1.1307	1.7
103a	-4.6954	110a	0.7633	8.07
103a	-4.6954	112a	0.9005	2.04

Warning: Σc²_i < 50 %

45 singlet∆E (eV): 5.10Osc. strength : 2.61E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
100a	-5.4336	105a	0.2614	1.92
101a	-4.7144	113a	1.0028	1.09
101a	-4.7144	115a	1.1307	1.18
101a	-4.7144	119a	1.3197	2.21
103a	-4.6954	110a	0.7633	1.77
103a	-4.6954	112a	0.9005	11.39
103a	-4.6954	113a	1.0028	4.8
103a	-4.6954	114a	1.0883	1.29
103a	-4.6954	115a	1.1307	5.04
103a	-4.6954	116a	1.1883	2.48

Warning: Σc²_i < 50 %

46 singlet∆E (eV): 5.13Osc. strength : 8.41E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	109a	0.5964	1.38
93a	-6.3992	109a	0.5964	1.14
97a	-5.7671	106a	0.3120	1.06
98a	-5.7542	105a	0.2614	8.11
98a	-5.7542	106a	0.3120	8.02
98a	-5.7542	109a	0.5964	1.26
99a	-5.7030	105a	0.2614	17.95
100a	-5.4336	106a	0.3120	13.66
100a	-5.4336	107a	0.5279	2.47
100a	-5.4336	110a	0.7633	1.14

47 singlet∆E (eV): 5.15Osc. strength : 2.20E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	109a	0.5964	2.18
93a	-6.3992	106a	0.3120	1.52
93a	-6.3992	109a	0.5964	1.85
97a	-5.7671	109a	0.5964	1.03
98a	-5.7542	105a	0.2614	17.9
98a	-5.7542	106a	0.3120	12.17
98a	-5.7542	109a	0.5964	3.11
99a	-5.7030	105a	0.2614	3.89
99a	-5.7030	106a	0.3120	1.97
100a	-5.4336	105a	0.2614	2.36

Warning: Σc²_i < 50 %

48 singlet∆E (eV): 5.16Osc. strength : 2.45E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
99a	-5.7030	106a	0.3120	2.23
100a	-5.4336	107a	0.5279	2.18
100a	-5.4336	111a	0.8241	1.08
101a	-4.7144	108a	0.5519	1.27
101a	-4.7144	112a	0.9005	3.8
101a	-4.7144	114a	1.0883	8.06
102a	-4.7102	110a	0.7633	3.19
102a	-4.7102	112a	0.9005	4.84
102a	-4.7102	114a	1.0883	3.43
103a	-4.6954	113a	1.0028	8.93

Warning: Σc²_i < 50 %

49 singlet∆E (eV): 5.17Osc. strength : 9.54E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
98a	-5.7542	105a	0.2614	1.07
99a	-5.7030	105a	0.2614	5.47
100a	-5.4336	107a	0.5279	3.41
101a	-4.7144	108a	0.5519	2.23
101a	-4.7144	110a	0.7633	2.11
101a	-4.7144	111a	0.8241	1.73
101a	-4.7144	112a	0.9005	18
101a	-4.7144	114a	1.0883	1.76
102a	-4.7102	108a	0.5519	2.46
102a	-4.7102	111a	0.8241	2.09

Warning: Σc²_i < 50 %

50 singlet∆E (eV): 5.19Osc. strength : 3.00E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
99a	-5.7030	105a	0.2614	19.73
100a	-5.4336	107a	0.5279	6.57
103a	-4.6954	112a	0.9005	10.79
103a	-4.6954	114a	1.0883	3.64
103a	-4.6954	115a	1.1307	3.43
104a	-4.3544	116a	1.1883	1.51
104a	-4.3544	118a	1.2697	3.4
104a	-4.3544	121a	1.5828	32.35

51 singlet∆E (eV): 5.21Osc. strength : 7.36E-04

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	106a	0.3120	1.17
98a	-5.7542	105a	0.2614	1.25
99a	-5.7030	106a	0.3120	14.81
100a	-5.4336	107a	0.5279	2.16
101a	-4.7144	110a	0.7633	1.39
101a	-4.7144	111a	0.8241	3.1
101a	-4.7144	112a	0.9005	2.73
101a	-4.7144	113a	1.0028	2.84
101a	-4.7144	114a	1.0883	1.01
101a	-4.7144	115a	1.1307	1.93

Warning: Σc²_i < 50 %

52 singlet∆E (eV): 5.22Osc. strength : 1.33E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	105a	0.2614	4.6
97a	-5.7671	106a	0.3120	3.37
97a	-5.7671	108a	0.5519	1.32
98a	-5.7542	105a	0.2614	1.25
98a	-5.7542	106a	0.3120	3.25
99a	-5.7030	105a	0.2614	9.08
99a	-5.7030	106a	0.3120	24.66
100a	-5.4336	107a	0.5279	1.25
101a	-4.7144	111a	0.8241	4.01
101a	-4.7144	112a	0.9005	3.73

53 singlet∆E (eV): 5.23Osc. strength : 3.18E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	107a	0.5279	1.56
97a	-5.7671	105a	0.2614	19.7
97a	-5.7671	106a	0.3120	2.61
97a	-5.7671	107a	0.5279	1.08
97a	-5.7671	108a	0.5519	3.26
98a	-5.7542	105a	0.2614	1.51
99a	-5.7030	105a	0.2614	4.7
99a	-5.7030	106a	0.3120	16.5
100a	-5.4336	108a	0.5519	1.11
100a	-5.4336	110a	0.7633	4.34

54 singlet∆E (eV): 5.23Osc. strength : 6.70E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	105a	0.2614	16.66
97a	-5.7671	106a	0.3120	1.37
97a	-5.7671	107a	0.5279	1.62
97a	-5.7671	108a	0.5519	2.52
100a	-5.4336	111a	0.8241	2.23
101a	-4.7144	111a	0.8241	1.59
101a	-4.7144	112a	0.9005	4.81
101a	-4.7144	115a	1.1307	3.24
101a	-4.7144	118a	1.2697	1.42
102a	-4.7102	111a	0.8241	2.03

Warning: Σc²_i < 50 %

55 singlet∆E (eV): 5.24Osc. strength : 3.75E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
98a	-5.7542	105a	0.2614	5.76
98a	-5.7542	106a	0.3120	3.77
99a	-5.7030	105a	0.2614	4.43
99a	-5.7030	106a	0.3120	4.72
100a	-5.4336	108a	0.5519	1.9
101a	-4.7144	113a	1.0028	3.3
101a	-4.7144	115a	1.1307	1.79
101a	-4.7144	116a	1.1883	1.61
102a	-4.7102	111a	0.8241	2.24
102a	-4.7102	113a	1.0028	1.13

Warning: Σc²_i < 50 %

56 singlet∆E (eV): 5.25Osc. strength : 4.47E-04

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	105a	0.2614	1.64
101a	-4.7144	111a	0.8241	11.66
101a	-4.7144	112a	0.9005	4.99
101a	-4.7144	115a	1.1307	4.81
101a	-4.7144	117a	1.2361	11.32
101a	-4.7144	119a	1.3197	1.19
102a	-4.7102	111a	0.8241	13.96
102a	-4.7102	112a	0.9005	6.86
102a	-4.7102	114a	1.0883	5.83
102a	-4.7102	115a	1.1307	4.33

57 singlet∆E (eV): 5.25Osc. strength : 9.67E-04

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	108a	0.5519	1.98
101a	-4.7144	111a	0.8241	3.16
101a	-4.7144	112a	0.9005	1.72
101a	-4.7144	113a	1.0028	1.5
101a	-4.7144	114a	1.0883	28.26
101a	-4.7144	119a	1.3197	1.58
101a	-4.7144	122a	1.6351	1.88
102a	-4.7102	107a	0.5279	1.54
102a	-4.7102	108a	0.5519	1.9
102a	-4.7102	113a	1.0028	1.64

Warning: Σc²_i < 50 %

58 singlet∆E (eV): 5.26Osc. strength : 8.97E-04

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	105a	0.2614	1.46
97a	-5.7671	106a	0.3120	1.8
98a	-5.7542	105a	0.2614	1.12
98a	-5.7542	106a	0.3120	1.05
99a	-5.7030	105a	0.2614	1.14
99a	-5.7030	106a	0.3120	1.25
100a	-5.4336	107a	0.5279	1
101a	-4.7144	110a	0.7633	1.91
101a	-4.7144	113a	1.0028	9.15
101a	-4.7144	115a	1.1307	2.9

Warning: Σc²_i < 50 %

59 singlet∆E (eV): 5.27Osc. strength : 9.42E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	105a	0.2614	4.08
97a	-5.7671	106a	0.3120	1.3
98a	-5.7542	105a	0.2614	1.71
98a	-5.7542	106a	0.3120	2.07
101a	-4.7144	113a	1.0028	8.14
101a	-4.7144	114a	1.0883	2.41
101a	-4.7144	116a	1.1883	1.69
102a	-4.7102	113a	1.0028	13.53
102a	-4.7102	114a	1.0883	1.02
102a	-4.7102	115a	1.1307	1.15

Warning: Σc²_i < 50 %

60 singlet∆E (eV): 5.28Osc. strength : 5.21E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
98a	-5.7542	105a	0.2614	26.05
98a	-5.7542	106a	0.3120	27.37
98a	-5.7542	108a	0.5519	3.28
99a	-5.7030	108a	0.5519	1.39
100a	-5.4336	107a	0.5279	5.97
100a	-5.4336	108a	0.5519	1.52
101a	-4.7144	113a	1.0028	3.86
103a	-4.6954	113a	1.0028	4.69
103a	-4.6954	116a	1.1883	3.46
103a	-4.6954	118a	1.2697	1.02

61 singlet∆E (eV): 5.30Osc. strength : 7.79E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	105a	0.2614	5.04
98a	-5.7542	105a	0.2614	1.53
101a	-4.7144	112a	0.9005	1.23
101a	-4.7144	113a	1.0028	8.58
101a	-4.7144	116a	1.1883	6.28
102a	-4.7102	112a	0.9005	3.27
102a	-4.7102	113a	1.0028	3.51
102a	-4.7102	116a	1.1883	7.6
103a	-4.6954	116a	1.1883	14.6
103a	-4.6954	118a	1.2697	8.46

62 singlet∆E (eV): 5.31Osc. strength : 8.49E-04

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	112a	0.9005	2.09
101a	-4.7144	114a	1.0883	5.81
101a	-4.7144	115a	1.1307	24.64
101a	-4.7144	116a	1.1883	2.11
101a	-4.7144	118a	1.2697	1.97
102a	-4.7102	112a	0.9005	2.51
102a	-4.7102	114a	1.0883	4.77
102a	-4.7102	115a	1.1307	24.09
102a	-4.7102	116a	1.1883	2.38
102a	-4.7102	118a	1.2697	2

63 singlet∆E (eV): 5.31Osc. strength : 9.12E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	105a	0.2614	2.43
97a	-5.7671	105a	0.2614	6.92
97a	-5.7671	107a	0.5279	1.65
101a	-4.7144	112a	0.9005	2.46
101a	-4.7144	113a	1.0028	4.65
101a	-4.7144	116a	1.1883	9.41
101a	-4.7144	118a	1.2697	1.55
102a	-4.7102	113a	1.0028	8.86
102a	-4.7102	116a	1.1883	10.82
102a	-4.7102	122a	1.6351	1.19

Warning: Σc²_i < 50 %

64 singlet∆E (eV): 5.34Osc. strength : 1.95E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	105a	0.2614	31.75
96a	-5.8923	106a	0.3120	5.03
96a	-5.8923	107a	0.5279	1.25
96a	-5.8923	108a	0.5519	4.26
97a	-5.7671	105a	0.2614	7.58
97a	-5.7671	106a	0.3120	13.87
97a	-5.7671	107a	0.5279	5.25
99a	-5.7030	110a	0.7633	1.29
100a	-5.4336	107a	0.5279	4.33
100a	-5.4336	109a	0.5964	4.13

65 singlet∆E (eV): 5.35Osc. strength : 2.44E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	105a	0.2614	16.02
96a	-5.8923	107a	0.5279	1.7
96a	-5.8923	108a	0.5519	1.6
97a	-5.7671	105a	0.2614	2.87
97a	-5.7671	106a	0.3120	15.98
97a	-5.7671	107a	0.5279	1.61
99a	-5.7030	105a	0.2614	1.21
100a	-5.4336	107a	0.5279	7.59
100a	-5.4336	109a	0.5964	31.34
103a	-4.6954	116a	1.1883	3.17

66 singlet∆E (eV): 5.35Osc. strength : 6.76E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	105a	0.2614	1.41
97a	-5.7671	105a	0.2614	6.55
97a	-5.7671	106a	0.3120	32.09
99a	-5.7030	106a	0.3120	2.21
100a	-5.4336	107a	0.5279	7.23
100a	-5.4336	108a	0.5519	3.07
100a	-5.4336	109a	0.5964	19.73
103a	-4.6954	117a	1.2361	2.04
103a	-4.6954	118a	1.2697	3.23
103a	-4.6954	120a	1.4051	2.68

67 singlet∆E (eV): 5.37Osc. strength : 8.26E-04

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	111a	0.8241	2.18
101a	-4.7144	112a	0.9005	6.31
101a	-4.7144	114a	1.0883	1.28
101a	-4.7144	115a	1.1307	5.51
101a	-4.7144	117a	1.2361	14.87
101a	-4.7144	118a	1.2697	1.69
101a	-4.7144	120a	1.4051	3.69
102a	-4.7102	111a	0.8241	2.19
102a	-4.7102	112a	0.9005	7.15
102a	-4.7102	114a	1.0883	1.75

Warning: Σc²_i < 50 %

68 singlet∆E (eV): 5.37Osc. strength : 1.72E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	105a	0.2614	1.48
97a	-5.7671	105a	0.2614	1.4
97a	-5.7671	106a	0.3120	3.89
99a	-5.7030	106a	0.3120	1.59
100a	-5.4336	107a	0.5279	1.01
100a	-5.4336	109a	0.5964	3.9
101a	-4.7144	118a	1.2697	4.74
102a	-4.7102	113a	1.0028	1.03
103a	-4.6954	113a	1.0028	3.62
103a	-4.6954	115a	1.1307	1.62

Warning: Σc²_i < 50 %

69 singlet∆E (eV): 5.40Osc. strength : 1.60E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	105a	0.2614	3.33
97a	-5.7671	106a	0.3120	1.83
100a	-5.4336	107a	0.5279	2.47
100a	-5.4336	108a	0.5519	2.88
100a	-5.4336	109a	0.5964	3.04
101a	-4.7144	116a	1.1883	1.3
103a	-4.6954	114a	1.0883	1.95
103a	-4.6954	116a	1.1883	3.74
103a	-4.6954	120a	1.4051	6.56
103a	-4.6954	121a	1.5828	3.18

Warning: Σc²_i < 50 %

70 singlet∆E (eV): 5.42Osc. strength : 6.32E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
99a	-5.7030	105a	0.2614	2.25
99a	-5.7030	106a	0.3120	1.92
101a	-4.7144	113a	1.0028	1.13
101a	-4.7144	117a	1.2361	2.32
101a	-4.7144	118a	1.2697	3.74
101a	-4.7144	120a	1.4051	4.1
102a	-4.7102	113a	1.0028	1.54
102a	-4.7102	118a	1.2697	4.67
102a	-4.7102	120a	1.4051	1.2
103a	-4.6954	113a	1.0028	1.57

Warning: Σc²_i < 50 %

71 singlet∆E (eV): 5.42Osc. strength : 1.58E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
100a	-5.4336	108a	0.5519	6.59
100a	-5.4336	109a	0.5964	1.35
101a	-4.7144	110a	0.7633	1.01
101a	-4.7144	113a	1.0028	5.63
101a	-4.7144	116a	1.1883	1.56
101a	-4.7144	118a	1.2697	2.67
101a	-4.7144	124a	1.8317	1.44
102a	-4.7102	113a	1.0028	1.48
102a	-4.7102	114a	1.0883	1.64
102a	-4.7102	116a	1.1883	14.54

Warning: Σc²_i < 50 %

72 singlet∆E (eV): 5.43Osc. strength : 1.68E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	114a	1.0883	3.35
101a	-4.7144	116a	1.1883	22.14
101a	-4.7144	117a	1.2361	1.16
101a	-4.7144	118a	1.2697	15.62
101a	-4.7144	119a	1.3197	1.46
101a	-4.7144	120a	1.4051	2.24
102a	-4.7102	110a	0.7633	1.64
102a	-4.7102	113a	1.0028	3.28
102a	-4.7102	116a	1.1883	13.96
102a	-4.7102	124a	1.8317	1.8

73 singlet∆E (eV): 5.44Osc. strength : 1.06E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
99a	-5.7030	105a	0.2614	6.77
99a	-5.7030	106a	0.3120	7.72
99a	-5.7030	111a	0.8241	1.01
100a	-5.4336	105a	0.2614	1.45
100a	-5.4336	106a	0.3120	1.37
100a	-5.4336	107a	0.5279	17.01
100a	-5.4336	108a	0.5519	34.13
100a	-5.4336	109a	0.5964	5.21
100a	-5.4336	110a	0.7633	2.31
102a	-4.7102	116a	1.1883	2.42

74 singlet∆E (eV): 5.45Osc. strength : 7.25E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
95a	-6.1588	106a	0.3120	1.38
95a	-6.1588	111a	0.8241	1.16
96a	-5.8923	105a	0.2614	1.03
96a	-5.8923	106a	0.3120	6.76
98a	-5.7542	105a	0.2614	1.95
98a	-5.7542	106a	0.3120	1.86
99a	-5.7030	105a	0.2614	2.57
100a	-5.4336	105a	0.2614	1.52
100a	-5.4336	107a	0.5279	8.31
100a	-5.4336	108a	0.5519	14.51

Warning: Σc²_i < 50 %

75 singlet∆E (eV): 5.46Osc. strength : 7.16E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
95a	-6.1588	111a	0.8241	1.21
98a	-5.7542	111a	0.8241	1.02
101a	-4.7144	114a	1.0883	3.08
101a	-4.7144	115a	1.1307	2.08
101a	-4.7144	117a	1.2361	5.69
101a	-4.7144	119a	1.3197	13.13
101a	-4.7144	121a	1.5828	4.33
102a	-4.7102	114a	1.0883	1.29
102a	-4.7102	115a	1.1307	1.2
102a	-4.7102	116a	1.1883	3.55

Warning: Σc²_i < 50 %

76 singlet∆E (eV): 5.47Osc. strength : 2.03E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	106a	0.3120	1.27
94a	-6.1777	111a	0.8241	1.18
94a	-6.1777	115a	1.1307	1.09
94a	-6.1777	117a	1.2361	1.84
95a	-6.1588	105a	0.2614	2.79
95a	-6.1588	106a	0.3120	5.07
95a	-6.1588	110a	0.7633	1.2
95a	-6.1588	111a	0.8241	6.39
95a	-6.1588	114a	1.0883	1.22
95a	-6.1588	115a	1.1307	1.56

Warning: Σc²_i < 50 %

77 singlet∆E (eV): 5.48Osc. strength : 6.41E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	111a	0.8241	1.55
94a	-6.1777	115a	1.1307	1.78
95a	-6.1588	111a	0.8241	2.61
96a	-5.8923	106a	0.3120	1.84
98a	-5.7542	111a	0.8241	1.46
99a	-5.7030	109a	0.5964	2.4
100a	-5.4336	107a	0.5279	2.86
100a	-5.4336	109a	0.5964	1.36
101a	-4.7144	116a	1.1883	8.52
101a	-4.7144	119a	1.3197	4.87

Warning: Σc²_i < 50 %

78 singlet∆E (eV): 5.49Osc. strength : 1.61E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	111a	0.8241	13.97
94a	-6.1777	112a	0.9005	3.25
94a	-6.1777	115a	1.1307	6.24
94a	-6.1777	117a	1.2361	1.41
95a	-6.1588	111a	0.8241	2.95
95a	-6.1588	115a	1.1307	1.33
96a	-5.8923	105a	0.2614	1.62
96a	-5.8923	106a	0.3120	2.13
96a	-5.8923	111a	0.8241	3.64
96a	-5.8923	115a	1.1307	1.21

Warning: Σc²_i < 50 %

79 singlet∆E (eV): 5.50Osc. strength : 7.12E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	111a	0.8241	1.28
94a	-6.1777	115a	1.1307	1.43
95a	-6.1588	111a	0.8241	1.46
98a	-5.7542	111a	0.8241	1.21
99a	-5.7030	107a	0.5279	2.48
99a	-5.7030	109a	0.5964	1.05
101a	-4.7144	116a	1.1883	3.23
101a	-4.7144	117a	1.2361	7.67
101a	-4.7144	118a	1.2697	7.05
101a	-4.7144	119a	1.3197	1.1

Warning: Σc²_i < 50 %

80 singlet∆E (eV): 5.50Osc. strength : 3.46E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	105a	0.2614	1.7
93a	-6.3992	106a	0.3120	1.95
94a	-6.1777	111a	0.8241	2.3
96a	-5.8923	105a	0.2614	2.3
96a	-5.8923	106a	0.3120	11.92
98a	-5.7542	105a	0.2614	2.13
98a	-5.7542	106a	0.3120	3.79
98a	-5.7542	111a	0.8241	1.21
99a	-5.7030	107a	0.5279	7.79
99a	-5.7030	108a	0.5519	1.42

Warning: Σc²_i < 50 %

81 singlet∆E (eV): 5.51Osc. strength : 5.98E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	106a	0.3120	1.15
94a	-6.1777	111a	0.8241	5.26
95a	-6.1588	106a	0.3120	7.77
95a	-6.1588	111a	0.8241	1.46
95a	-6.1588	115a	1.1307	2.34
95a	-6.1588	117a	1.2361	2.96
96a	-5.8923	105a	0.2614	3.64
96a	-5.8923	106a	0.3120	6.82
97a	-5.7671	111a	0.8241	3.12
98a	-5.7542	109a	0.5964	2.6

Warning: Σc²_i < 50 %

82 singlet∆E (eV): 5.53Osc. strength : 1.27E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
95a	-6.1588	105a	0.2614	4.05
96a	-5.8923	105a	0.2614	1.26
96a	-5.8923	106a	0.3120	12.83
98a	-5.7542	105a	0.2614	1.23
98a	-5.7542	106a	0.3120	1.14
98a	-5.7542	108a	0.5519	2.06
99a	-5.7030	105a	0.2614	1.14
99a	-5.7030	107a	0.5279	3.27
99a	-5.7030	115a	1.1307	1.4
100a	-5.4336	110a	0.7633	2.14

Warning: Σc²_i < 50 %

83 singlet∆E (eV): 5.54Osc. strength : 2.57E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
95a	-6.1588	106a	0.3120	1.64
98a	-5.7542	107a	0.5279	2.19
98a	-5.7542	108a	0.5519	1.05
99a	-5.7030	107a	0.5279	3.25
99a	-5.7030	109a	0.5964	5.74
100a	-5.4336	108a	0.5519	2.22
100a	-5.4336	110a	0.7633	8.55
101a	-4.7144	115a	1.1307	1.65
101a	-4.7144	116a	1.1883	2.18
101a	-4.7144	117a	1.2361	3.53

Warning: Σc²_i < 50 %

84 singlet∆E (eV): 5.55Osc. strength : 8.79E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	113a	1.0028	1.82
101a	-4.7144	114a	1.0883	1.72
101a	-4.7144	115a	1.1307	2.21
101a	-4.7144	116a	1.1883	4.42
101a	-4.7144	117a	1.2361	7.03
101a	-4.7144	118a	1.2697	5.74
101a	-4.7144	119a	1.3197	5.44
101a	-4.7144	120a	1.4051	1.47
102a	-4.7102	113a	1.0028	2.05
102a	-4.7102	114a	1.0883	1.88

Warning: Σc²_i < 50 %

85 singlet∆E (eV): 5.56Osc. strength : 3.51E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	105a	0.2614	4
93a	-6.3992	106a	0.3120	4.12
94a	-6.1777	105a	0.2614	3.92
94a	-6.1777	107a	0.5279	2.14
94a	-6.1777	111a	0.8241	3.6
95a	-6.1588	105a	0.2614	4.04
95a	-6.1588	106a	0.3120	1.88
95a	-6.1588	111a	0.8241	1.19
95a	-6.1588	115a	1.1307	1.15
95a	-6.1588	117a	1.2361	1.4

Warning: Σc²_i < 50 %

86 singlet∆E (eV): 5.56Osc. strength : 8.17E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
95a	-6.1588	106a	0.3120	1.58
98a	-5.7542	106a	0.3120	1.06
98a	-5.7542	107a	0.5279	1.9
98a	-5.7542	109a	0.5964	1.16
99a	-5.7030	107a	0.5279	1.29
100a	-5.4336	110a	0.7633	6.33
101a	-4.7144	117a	1.2361	2.12
101a	-4.7144	118a	1.2697	3.56
101a	-4.7144	119a	1.3197	4.98
101a	-4.7144	121a	1.5828	13.05

Warning: Σc²_i < 50 %

87 singlet∆E (eV): 5.57Osc. strength : 2.89E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	105a	0.2614	1.11
93a	-6.3992	106a	0.3120	1.41
94a	-6.1777	105a	0.2614	1.19
94a	-6.1777	106a	0.3120	1.87
97a	-5.7671	109a	0.5964	1.19
97a	-5.7671	111a	0.8241	3
98a	-5.7542	106a	0.3120	1.56
98a	-5.7542	107a	0.5279	11.51
98a	-5.7542	109a	0.5964	2.36
99a	-5.7030	107a	0.5279	1.78

Warning: Σc²_i < 50 %

88 singlet∆E (eV): 5.60Osc. strength : 3.06E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	106a	0.3120	1.05
94a	-6.1777	105a	0.2614	5.16
94a	-6.1777	106a	0.3120	4.32
94a	-6.1777	107a	0.5279	1.68
94a	-6.1777	108a	0.5519	1.87
94a	-6.1777	111a	0.8241	1.19
95a	-6.1588	105a	0.2614	2.93
95a	-6.1588	106a	0.3120	1.5
96a	-5.8923	107a	0.5279	2.93
97a	-5.7671	111a	0.8241	2.5

Warning: Σc²_i < 50 %

89 singlet∆E (eV): 5.61Osc. strength : 3.02E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	106a	0.3120	2.15
94a	-6.1777	105a	0.2614	4.41
95a	-6.1588	105a	0.2614	6.15
96a	-5.8923	106a	0.3120	5.13
96a	-5.8923	111a	0.8241	1.73
97a	-5.7671	107a	0.5279	4.43
97a	-5.7671	109a	0.5964	4.13
98a	-5.7542	106a	0.3120	2.08
98a	-5.7542	107a	0.5279	8.14
98a	-5.7542	108a	0.5519	3.48

Warning: Σc²_i < 50 %

90 singlet∆E (eV): 5.61Osc. strength : 1.49E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
95a	-6.1588	105a	0.2614	1.1
97a	-5.7671	107a	0.5279	1.11
97a	-5.7671	109a	0.5964	1
100a	-5.4336	110a	0.7633	1.14
100a	-5.4336	115a	1.1307	1.24
103a	-4.6954	114a	1.0883	1.2
103a	-4.6954	116a	1.1883	4.99
103a	-4.6954	117a	1.2361	1.8
103a	-4.6954	118a	1.2697	2.44
103a	-4.6954	120a	1.4051	7.46

Warning: Σc²_i < 50 %

91 singlet∆E (eV): 5.61Osc. strength : 2.58E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	109a	0.5964	1.08
97a	-5.7671	111a	0.8241	2.63
98a	-5.7542	107a	0.5279	2.84
98a	-5.7542	108a	0.5519	4.11
98a	-5.7542	109a	0.5964	2.14
99a	-5.7030	107a	0.5279	15.62
99a	-5.7030	108a	0.5519	13.16
99a	-5.7030	109a	0.5964	8.86
100a	-5.4336	110a	0.7633	1.02
100a	-5.4336	111a	0.8241	1.61

92 singlet∆E (eV): 5.62Osc. strength : 1.22E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	106a	0.3120	2.24
95a	-6.1588	105a	0.2614	6.89
95a	-6.1588	107a	0.5279	1.8
96a	-5.8923	106a	0.3120	1.77
97a	-5.7671	107a	0.5279	12.74
97a	-5.7671	109a	0.5964	1.13
98a	-5.7542	107a	0.5279	16.84
98a	-5.7542	108a	0.5519	3.58
98a	-5.7542	109a	0.5964	13.07
98a	-5.7542	110a	0.7633	1.3

93 singlet∆E (eV): 5.65Osc. strength : 1.55E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	105a	0.2614	9.68
94a	-6.1777	106a	0.3120	1.51
94a	-6.1777	108a	0.5519	1.17
95a	-6.1588	105a	0.2614	2.29
95a	-6.1588	106a	0.3120	1.27
95a	-6.1588	107a	0.5279	2.29
96a	-5.8923	111a	0.8241	1.32
97a	-5.7671	109a	0.5964	9.62
97a	-5.7671	111a	0.8241	1.79
98a	-5.7542	107a	0.5279	4.16

Warning: Σc²_i < 50 %

94 singlet∆E (eV): 5.65Osc. strength : 1.52E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	105a	0.2614	1.38
95a	-6.1588	105a	0.2614	2.97
97a	-5.7671	108a	0.5519	1.92
97a	-5.7671	111a	0.8241	1.01
98a	-5.7542	107a	0.5279	1.6
99a	-5.7030	108a	0.5519	14.89
99a	-5.7030	109a	0.5964	2.16
100a	-5.4336	112a	0.9005	3.67
100a	-5.4336	113a	1.0028	1.08
100a	-5.4336	115a	1.1307	1.35

Warning: Σc²_i < 50 %

95 singlet∆E (eV): 5.65Osc. strength : 4.11E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	108a	0.5519	2.12
98a	-5.7542	107a	0.5279	1.98
99a	-5.7030	107a	0.5279	1.88
99a	-5.7030	108a	0.5519	10.7
99a	-5.7030	109a	0.5964	5.81
100a	-5.4336	112a	0.9005	4.06
100a	-5.4336	113a	1.0028	1.48
100a	-5.4336	115a	1.1307	1.03
101a	-4.7144	118a	1.2697	1.47
101a	-4.7144	119a	1.3197	4.11

Warning: Σc²_i < 50 %

96 singlet∆E (eV): 5.66Osc. strength : 3.43E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	107a	0.5279	14.21
97a	-5.7671	108a	0.5519	3.47
97a	-5.7671	109a	0.5964	28.6
97a	-5.7671	111a	0.8241	1.57
98a	-5.7542	107a	0.5279	1.16
102a	-4.7102	121a	1.5828	1.5
103a	-4.6954	120a	1.4051	5.63
103a	-4.6954	121a	1.5828	9.32
104a	-4.3544	121a	1.5828	1.03
104a	-4.3544	123a	1.6892	2.63

97 singlet∆E (eV): 5.67Osc. strength : 1.13E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
95a	-6.1588	105a	0.2614	1.11
96a	-5.8923	111a	0.8241	2.1
97a	-5.7671	107a	0.5279	6.14
97a	-5.7671	109a	0.5964	1.94
97a	-5.7671	111a	0.8241	4.01
98a	-5.7542	107a	0.5279	3.97
98a	-5.7542	108a	0.5519	5.41
99a	-5.7030	108a	0.5519	8.27
99a	-5.7030	110a	0.7633	3.64
100a	-5.4336	112a	0.9005	1.46

Warning: Σc²_i < 50 %

98 singlet∆E (eV): 5.67Osc. strength : 1.43E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
101a	-4.7144	113a	1.0028	1.07
101a	-4.7144	119a	1.3197	3.32
101a	-4.7144	120a	1.4051	1.08
101a	-4.7144	121a	1.5828	23.02
101a	-4.7144	123a	1.6892	2.67
101a	-4.7144	125a	1.8828	3.33
102a	-4.7102	113a	1.0028	1.05
102a	-4.7102	119a	1.3197	3.17
102a	-4.7102	120a	1.4051	3.89
102a	-4.7102	121a	1.5828	25.04

99 singlet∆E (eV): 5.69Osc. strength : 9.93E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	105a	0.2614	1.18
97a	-5.7671	106a	0.3120	1.15
97a	-5.7671	107a	0.5279	6.42
97a	-5.7671	109a	0.5964	2.99
97a	-5.7671	111a	0.8241	3.51
98a	-5.7542	108a	0.5519	9.15
99a	-5.7030	107a	0.5279	3.05
99a	-5.7030	108a	0.5519	1.65
99a	-5.7030	110a	0.7633	1.08
99a	-5.7030	111a	0.8241	4.22

Warning: Σc²_i < 50 %

100 singlet∆E (eV): 5.70Osc. strength : 2.31E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	105a	0.2614	7.18
94a	-6.1777	106a	0.3120	1.78
94a	-6.1777	108a	0.5519	1.11
95a	-6.1588	105a	0.2614	6.78
95a	-6.1588	107a	0.5279	2.38
96a	-5.8923	107a	0.5279	4.94
96a	-5.8923	108a	0.5519	1.16
96a	-5.8923	111a	0.8241	1.16
97a	-5.7671	108a	0.5519	5.16
97a	-5.7671	109a	0.5964	1.55

Warning: Σc²_i < 50 %

101 singlet∆E (eV): 5.72Osc. strength : 5.53E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	105a	0.2614	3.05
96a	-5.8923	105a	0.2614	2.12
96a	-5.8923	106a	0.3120	1.64
97a	-5.7671	105a	0.2614	1.78
97a	-5.7671	106a	0.3120	1.77
97a	-5.7671	108a	0.5519	5.08
98a	-5.7542	107a	0.5279	2.34
98a	-5.7542	108a	0.5519	6.09
98a	-5.7542	110a	0.7633	1.82
99a	-5.7030	110a	0.7633	20.95

Warning: Σc²_i < 50 %

102 singlet∆E (eV): 5.72Osc. strength : 1.12E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	107a	0.5279	3.65
97a	-5.7671	105a	0.2614	3.94
97a	-5.7671	106a	0.3120	4.23
97a	-5.7671	107a	0.5279	3.34
97a	-5.7671	108a	0.5519	21.03
98a	-5.7542	108a	0.5519	7.4
99a	-5.7030	108a	0.5519	11.75
99a	-5.7030	111a	0.8241	7.03
99a	-5.7030	114a	1.0883	1.51
100a	-5.4336	112a	0.9005	1.05

103 singlet∆E (eV): 5.73Osc. strength : 1.82E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
95a	-6.1588	105a	0.2614	6.57
96a	-5.8923	106a	0.3120	1.03
96a	-5.8923	107a	0.5279	2.84
97a	-5.7671	105a	0.2614	1.77
97a	-5.7671	106a	0.3120	1.49
97a	-5.7671	107a	0.5279	7.98
97a	-5.7671	108a	0.5519	1.87
97a	-5.7671	109a	0.5964	5.95
97a	-5.7671	110a	0.7633	3.93
97a	-5.7671	112a	0.9005	1.43

Warning: Σc²_i < 50 %

104 singlet∆E (eV): 5.74Osc. strength : 1.84E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
95a	-6.1588	105a	0.2614	5.43
97a	-5.7671	107a	0.5279	2.71
97a	-5.7671	108a	0.5519	2.42
97a	-5.7671	109a	0.5964	1.93
97a	-5.7671	110a	0.7633	9.39
98a	-5.7542	108a	0.5519	2.47
100a	-5.4336	112a	0.9005	2.59
100a	-5.4336	113a	1.0028	3.72
101a	-4.7144	116a	1.1883	1.02
101a	-4.7144	120a	1.4051	1.27

Warning: Σc²_i < 50 %

105 singlet∆E (eV): 5.75Osc. strength : 4.17E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	105a	0.2614	2.61
96a	-5.8923	107a	0.5279	3.85
97a	-5.7671	107a	0.5279	1.14
97a	-5.7671	108a	0.5519	1.35
97a	-5.7671	109a	0.5964	2.83
97a	-5.7671	110a	0.7633	3.27
97a	-5.7671	111a	0.8241	3.76
98a	-5.7542	108a	0.5519	1.41
98a	-5.7542	109a	0.5964	1.15
99a	-5.7030	110a	0.7633	15.6

Warning: Σc²_i < 50 %

106 singlet∆E (eV): 5.75Osc. strength : 1.00E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
95a	-6.1588	106a	0.3120	1.08
97a	-5.7671	105a	0.2614	1.34
97a	-5.7671	108a	0.5519	15.81
97a	-5.7671	109a	0.5964	1.45
97a	-5.7671	110a	0.7633	7.26
97a	-5.7671	111a	0.8241	4.69
97a	-5.7671	113a	1.0028	1.18
98a	-5.7542	109a	0.5964	1.1
99a	-5.7030	108a	0.5519	1.1
99a	-5.7030	111a	0.8241	19.15

107 singlet∆E (eV): 5.76Osc. strength : 1.91E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	106a	0.3120	1.31
94a	-6.1777	105a	0.2614	3.32
95a	-6.1588	105a	0.2614	3.78
96a	-5.8923	105a	0.2614	1.83
96a	-5.8923	109a	0.5964	2.55
96a	-5.8923	111a	0.8241	6.08
97a	-5.7671	109a	0.5964	5.38
97a	-5.7671	112a	0.9005	1.16
97a	-5.7671	115a	1.1307	1.44
98a	-5.7542	108a	0.5519	1.61

Warning: Σc²_i < 50 %

108 singlet∆E (eV): 5.77Osc. strength : 1.02E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	107a	0.5279	1.63
98a	-5.7542	111a	0.8241	1.72
101a	-4.7144	114a	1.0883	2.26
101a	-4.7144	119a	1.3197	2.12
101a	-4.7144	120a	1.4051	2.35
101a	-4.7144	121a	1.5828	1.36
101a	-4.7144	122a	1.6351	22.53
101a	-4.7144	127a	2.0537	3.33
101a	-4.7144	128a	2.1783	1.01
102a	-4.7102	114a	1.0883	2.87

Warning: Σc²_i < 50 %

109 singlet∆E (eV): 5.78Osc. strength : 1.22E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	105a	0.2614	2.55
93a	-6.3992	111a	0.8241	1.9
93a	-6.3992	117a	1.2361	1.04
94a	-6.1777	111a	0.8241	1.37
95a	-6.1588	105a	0.2614	5.7
95a	-6.1588	106a	0.3120	2.45
97a	-5.7671	107a	0.5279	1.06
97a	-5.7671	108a	0.5519	1.74
97a	-5.7671	109a	0.5964	1.78
97a	-5.7671	110a	0.7633	1.62

Warning: Σc²_i < 50 %

110 singlet∆E (eV): 5.79Osc. strength : 2.50E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	111a	0.8241	1.27
93a	-6.3992	117a	1.2361	1
94a	-6.1777	105a	0.2614	2.21
94a	-6.1777	106a	0.3120	3.13
95a	-6.1588	105a	0.2614	2.7
97a	-5.7671	107a	0.5279	4.18
97a	-5.7671	108a	0.5519	5.27
97a	-5.7671	109a	0.5964	11.34
97a	-5.7671	110a	0.7633	6.06
97a	-5.7671	115a	1.1307	1.31

Warning: Σc²_i < 50 %

111 singlet∆E (eV): 5.80Osc. strength : 8.13E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	105a	0.2614	2.54
94a	-6.1777	105a	0.2614	3.67
94a	-6.1777	106a	0.3120	1.57
96a	-5.8923	107a	0.5279	15.09
96a	-5.8923	109a	0.5964	17.21
96a	-5.8923	110a	0.7633	2.32
97a	-5.7671	108a	0.5519	1.81
98a	-5.7542	109a	0.5964	3.47
98a	-5.7542	110a	0.7633	13.36
98a	-5.7542	111a	0.8241	5.65

112 singlet∆E (eV): 5.80Osc. strength : 2.61E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	107a	0.5279	2.72
96a	-5.8923	108a	0.5519	2.78
96a	-5.8923	109a	0.5964	4.17
97a	-5.7671	109a	0.5964	1.02
99a	-5.7030	110a	0.7633	4.22
101a	-4.7144	121a	1.5828	3.87
101a	-4.7144	122a	1.6351	1.69
101a	-4.7144	123a	1.6892	2.44
101a	-4.7144	125a	1.8828	10.05
102a	-4.7102	121a	1.5828	4.09

Warning: Σc²_i < 50 %

113 singlet∆E (eV): 5.81Osc. strength : 1.57E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	105a	0.2614	1.43
94a	-6.1777	105a	0.2614	2.76
94a	-6.1777	106a	0.3120	20.11
94a	-6.1777	107a	0.5279	1.13
94a	-6.1777	119a	1.3197	1.38
95a	-6.1588	106a	0.3120	8.96
96a	-5.8923	105a	0.2614	1.14
96a	-5.8923	107a	0.5279	7.27
96a	-5.8923	108a	0.5519	1.09
96a	-5.8923	109a	0.5964	14.41

114 singlet∆E (eV): 5.81Osc. strength : 4.13E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	1.38
93a	-6.3992	106a	0.3120	4.57
94a	-6.1777	105a	0.2614	4.66
96a	-5.8923	107a	0.5279	1.95
96a	-5.8923	109a	0.5964	2.22
97a	-5.7671	110a	0.7633	3.87
97a	-5.7671	111a	0.8241	1.83
98a	-5.7542	110a	0.7633	18.92
98a	-5.7542	111a	0.8241	4.19
98a	-5.7542	114a	1.0883	1.93

Warning: Σc²_i < 50 %

115 singlet∆E (eV): 5.81Osc. strength : 8.88E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	106a	0.3120	1.63
94a	-6.1777	105a	0.2614	4.15
94a	-6.1777	106a	0.3120	10.92
94a	-6.1777	117a	1.2361	1.36
94a	-6.1777	119a	1.3197	2
95a	-6.1588	106a	0.3120	1.15
96a	-5.8923	105a	0.2614	1.31
96a	-5.8923	107a	0.5279	1.01
96a	-5.8923	108a	0.5519	5.02
96a	-5.8923	111a	0.8241	3.2

Warning: Σc²_i < 50 %

116 singlet∆E (eV): 5.83Osc. strength : 3.66E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	105a	0.2614	1.27
96a	-5.8923	106a	0.3120	1.06
96a	-5.8923	108a	0.5519	1.72
97a	-5.7671	107a	0.5279	1.05
97a	-5.7671	109a	0.5964	1.34
97a	-5.7671	110a	0.7633	4.01
99a	-5.7030	110a	0.7633	7.94
99a	-5.7030	112a	0.9005	1.31
100a	-5.4336	113a	1.0028	1.42
100a	-5.4336	115a	1.1307	3.71

Warning: Σc²_i < 50 %

117 singlet∆E (eV): 5.84Osc. strength : 1.44E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	108a	0.5519	5.76
97a	-5.7671	111a	0.8241	3.06
100a	-5.4336	112a	0.9005	13.42
100a	-5.4336	113a	1.0028	2.5
101a	-4.7144	118a	1.2697	1.82
101a	-4.7144	123a	1.6892	3.81
101a	-4.7144	127a	2.0537	1.46
102a	-4.7102	118a	1.2697	2.86
102a	-4.7102	123a	1.6892	11.97
102a	-4.7102	124a	1.8317	2.24

Warning: Σc²_i < 50 %

118 singlet∆E (eV): 5.84Osc. strength : 4.20E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	108a	0.5519	5.43
96a	-5.8923	109a	0.5964	7.81
96a	-5.8923	113a	1.0028	1.19
97a	-5.7671	110a	0.7633	3.98
98a	-5.7542	111a	0.8241	3.19
99a	-5.7030	108a	0.5519	1.61
99a	-5.7030	110a	0.7633	4.89
99a	-5.7030	111a	0.8241	6.43
100a	-5.4336	112a	0.9005	11.66
101a	-4.7144	123a	1.6892	2.29

Warning: Σc²_i < 50 %

119 singlet∆E (eV): 5.85Osc. strength : 1.90E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	120a	1.4051	1.13
96a	-5.8923	107a	0.5279	1.1
96a	-5.8923	108a	0.5519	8.51
96a	-5.8923	109a	0.5964	5.21
96a	-5.8923	111a	0.8241	1.28
97a	-5.7671	110a	0.7633	6.18
97a	-5.7671	111a	0.8241	1.57
97a	-5.7671	113a	1.0028	1.16
98a	-5.7542	111a	0.8241	2.08
98a	-5.7542	113a	1.0028	3.77

Warning: Σc²_i < 50 %

120 singlet∆E (eV): 5.86Osc. strength : 8.36E-04

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	1.3
95a	-6.1588	105a	0.2614	1.27
95a	-6.1588	120a	1.4051	1.09
96a	-5.8923	105a	0.2614	1.77
96a	-5.8923	106a	0.3120	1.77
96a	-5.8923	107a	0.5279	2.33
96a	-5.8923	108a	0.5519	4.26
96a	-5.8923	109a	0.5964	4.75
96a	-5.8923	110a	0.7633	2.37
96a	-5.8923	112a	0.9005	1.11

Warning: Σc²_i < 50 %

121 singlet∆E (eV): 5.87Osc. strength : 1.73E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	2.11
94a	-6.1777	105a	0.2614	7.87
94a	-6.1777	106a	0.3120	2.08
94a	-6.1777	117a	1.2361	1.1
95a	-6.1588	105a	0.2614	2.39
95a	-6.1588	106a	0.3120	19.12
95a	-6.1588	111a	0.8241	4.06
95a	-6.1588	117a	1.2361	2.45
96a	-5.8923	107a	0.5279	4.67
96a	-5.8923	108a	0.5519	9.26

122 singlet∆E (eV): 5.87Osc. strength : 2.43E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	105a	0.2614	2.5
94a	-6.1777	105a	0.2614	1.94
94a	-6.1777	106a	0.3120	3.11
94a	-6.1777	107a	0.5279	1.09
94a	-6.1777	117a	1.2361	2.39
95a	-6.1588	105a	0.2614	1.06
95a	-6.1588	106a	0.3120	1.06
95a	-6.1588	111a	0.8241	1.66
95a	-6.1588	113a	1.0028	1.03
95a	-6.1588	117a	1.2361	1.92

Warning: Σc²_i < 50 %

123 singlet∆E (eV): 5.88Osc. strength : 2.87E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	1.21
94a	-6.1777	106a	0.3120	2.28
95a	-6.1588	106a	0.3120	3.27
96a	-5.8923	108a	0.5519	2.58
96a	-5.8923	109a	0.5964	7.15
97a	-5.7671	110a	0.7633	12.93
97a	-5.7671	113a	1.0028	1.08
98a	-5.7542	112a	0.9005	1.07
98a	-5.7542	115a	1.1307	1.49
99a	-5.7030	107a	0.5279	1.53

Warning: Σc²_i < 50 %

124 singlet∆E (eV): 5.90Osc. strength : 5.89E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	4.55
93a	-6.3992	105a	0.2614	2.09
94a	-6.1777	119a	1.3197	1.63
95a	-6.1588	117a	1.2361	1.58
95a	-6.1588	120a	1.4051	1.14
96a	-5.8923	108a	0.5519	3.25
98a	-5.7542	115a	1.1307	1.09
100a	-5.4336	114a	1.0883	6.69
100a	-5.4336	115a	1.1307	3.55
100a	-5.4336	119a	1.3197	2.35

Warning: Σc²_i < 50 %

125 singlet∆E (eV): 5.90Osc. strength : 1.54E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	1.55
92a	-6.4258	106a	0.3120	1.98
93a	-6.3992	105a	0.2614	3.76
93a	-6.3992	106a	0.3120	1.36
93a	-6.3992	117a	1.2361	1.02
94a	-6.1777	106a	0.3120	4.02
94a	-6.1777	119a	1.3197	3.4
95a	-6.1588	117a	1.2361	2.91
95a	-6.1588	120a	1.4051	1.41
96a	-5.8923	109a	0.5964	1.9

Warning: Σc²_i < 50 %

126 singlet∆E (eV): 5.90Osc. strength : 3.13E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	15.99
92a	-6.4258	106a	0.3120	2.46
93a	-6.3992	106a	0.3120	1.83
95a	-6.1588	106a	0.3120	2.34
96a	-5.8923	108a	0.5519	2.18
97a	-5.7671	110a	0.7633	2.08
97a	-5.7671	111a	0.8241	2.05
98a	-5.7542	111a	0.8241	1.89
98a	-5.7542	115a	1.1307	1.86
99a	-5.7030	111a	0.8241	4.06

Warning: Σc²_i < 50 %

127 singlet∆E (eV): 5.91Osc. strength : 4.61E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	14.38
92a	-6.4258	110a	0.7633	1.03
92a	-6.4258	111a	0.8241	2.91
93a	-6.3992	105a	0.2614	5.86
93a	-6.3992	106a	0.3120	4.54
94a	-6.1777	105a	0.2614	1.73
94a	-6.1777	106a	0.3120	1.92
95a	-6.1588	106a	0.3120	2.03
95a	-6.1588	108a	0.5519	1.01
96a	-5.8923	108a	0.5519	1.84

Warning: Σc²_i < 50 %

128 singlet∆E (eV): 5.92Osc. strength : 2.07E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	1.49
93a	-6.3992	105a	0.2614	2.48
93a	-6.3992	106a	0.3120	2.51
95a	-6.1588	106a	0.3120	1.11
96a	-5.8923	108a	0.5519	1.75
96a	-5.8923	110a	0.7633	5.71
98a	-5.7542	110a	0.7633	1.08
100a	-5.4336	113a	1.0028	3.28
100a	-5.4336	114a	1.0883	2.84
100a	-5.4336	115a	1.1307	2.67

Warning: Σc²_i < 50 %

129 singlet∆E (eV): 5.93Osc. strength : 1.25E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	8.19
93a	-6.3992	105a	0.2614	8.38
93a	-6.3992	106a	0.3120	2.57
94a	-6.1777	106a	0.3120	1.6
95a	-6.1588	105a	0.2614	1.02
95a	-6.1588	108a	0.5519	1.05
95a	-6.1588	110a	0.7633	1.45
96a	-5.8923	110a	0.7633	19.5
98a	-5.7542	108a	0.5519	1.53
98a	-5.7542	109a	0.5964	1.03

Warning: Σc²_i < 50 %

130 singlet∆E (eV): 5.93Osc. strength : 1.41E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	105a	0.2614	2.62
94a	-6.1777	106a	0.3120	4.02
94a	-6.1777	115a	1.1307	1.23
94a	-6.1777	120a	1.4051	1.22
95a	-6.1588	106a	0.3120	5.68
95a	-6.1588	111a	0.8241	1.3
95a	-6.1588	113a	1.0028	1.62
95a	-6.1588	114a	1.0883	2.74
95a	-6.1588	115a	1.1307	1.73
95a	-6.1588	116a	1.1883	1.62

Warning: Σc²_i < 50 %

131 singlet∆E (eV): 5.93Osc. strength : 2.05E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	1.94
93a	-6.3992	105a	0.2614	1.78
94a	-6.1777	106a	0.3120	1.02
96a	-5.8923	110a	0.7633	4.32
96a	-5.8923	111a	0.8241	1.74
99a	-5.7030	110a	0.7633	2.47
99a	-5.7030	111a	0.8241	1.79
100a	-5.4336	115a	1.1307	5.99
100a	-5.4336	117a	1.2361	4.75
101a	-4.7144	123a	1.6892	2.61

Warning: Σc²_i < 50 %

132 singlet∆E (eV): 5.94Osc. strength : 2.73E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	106a	0.3120	2.36
93a	-6.3992	105a	0.2614	5.12
94a	-6.1777	105a	0.2614	1.16
94a	-6.1777	119a	1.3197	2.04
95a	-6.1588	106a	0.3120	1.37
96a	-5.8923	111a	0.8241	1.15
97a	-5.7671	111a	0.8241	1.34
98a	-5.7542	110a	0.7633	1.42
99a	-5.7030	113a	1.0028	1.23
99a	-5.7030	115a	1.1307	1.22

Warning: Σc²_i < 50 %

133 singlet∆E (eV): 5.95Osc. strength : 1.70E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	9.63
92a	-6.4258	106a	0.3120	1.55
92a	-6.4258	108a	0.5519	1.6
92a	-6.4258	110a	0.7633	1.18
93a	-6.3992	105a	0.2614	2.97
93a	-6.3992	106a	0.3120	10.23
94a	-6.1777	106a	0.3120	2.73
94a	-6.1777	107a	0.5279	1.22
96a	-5.8923	110a	0.7633	3.21
97a	-5.7671	115a	1.1307	1.94

Warning: Σc²_i < 50 %

134 singlet∆E (eV): 5.95Osc. strength : 6.76E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	2.01
92a	-6.4258	106a	0.3120	10.76
92a	-6.4258	111a	0.8241	1.28
92a	-6.4258	117a	1.2361	1.1
92a	-6.4258	119a	1.3197	2.82
93a	-6.3992	105a	0.2614	2.19
93a	-6.3992	106a	0.3120	9.02
94a	-6.1777	106a	0.3120	1.86
97a	-5.7671	111a	0.8241	4.3
98a	-5.7542	109a	0.5964	1.3

Warning: Σc²_i < 50 %

135 singlet∆E (eV): 5.97Osc. strength : 6.70E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	106a	0.3120	1.47
93a	-6.3992	105a	0.2614	5.43
93a	-6.3992	106a	0.3120	3.54
94a	-6.1777	105a	0.2614	1.01
94a	-6.1777	115a	1.1307	2.03
94a	-6.1777	117a	1.2361	1.52
94a	-6.1777	119a	1.3197	3.5
95a	-6.1588	119a	1.3197	1.4
96a	-5.8923	110a	0.7633	1.9
98a	-5.7542	107a	0.5279	1.29

Warning: Σc²_i < 50 %

136 singlet∆E (eV): 5.98Osc. strength : 3.10E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	3.08
92a	-6.4258	106a	0.3120	13.34
92a	-6.4258	108a	0.5519	1.7
92a	-6.4258	110a	0.7633	2.02
92a	-6.4258	111a	0.8241	1.58
92a	-6.4258	112a	0.9005	2.24
92a	-6.4258	117a	1.2361	1.1
92a	-6.4258	119a	1.3197	2.26
93a	-6.3992	106a	0.3120	3.22
94a	-6.1777	119a	1.3197	1.88

Warning: Σc²_i < 50 %

137 singlet∆E (eV): 5.99Osc. strength : 1.25E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	110a	0.7633	2.59
96a	-5.8923	111a	0.8241	1.33
97a	-5.7671	111a	0.8241	1.16
99a	-5.7030	113a	1.0028	1.24
100a	-5.4336	114a	1.0883	2.99
100a	-5.4336	118a	1.2697	2.37
101a	-4.7144	122a	1.6351	4.31
101a	-4.7144	123a	1.6892	1.63
101a	-4.7144	124a	1.8317	8.54
101a	-4.7144	126a	2.0070	1.65

Warning: Σc²_i < 50 %

138 singlet∆E (eV): 6.00Osc. strength : 1.09E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	111a	0.8241	1.15
92a	-6.4258	119a	1.3197	1.18
93a	-6.3992	106a	0.3120	2.75
96a	-5.8923	110a	0.7633	1.95
97a	-5.7671	110a	0.7633	1.14
97a	-5.7671	111a	0.8241	3.91
97a	-5.7671	112a	0.9005	1.61
97a	-5.7671	114a	1.0883	1
97a	-5.7671	119a	1.3197	1.15
98a	-5.7542	111a	0.8241	2.05

Warning: Σc²_i < 50 %

139 singlet∆E (eV): 6.00Osc. strength : 2.29E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	1
97a	-5.7671	111a	0.8241	2.04
98a	-5.7542	113a	1.0028	1.74
99a	-5.7030	116a	1.1883	1.1
100a	-5.4336	117a	1.2361	7.23
101a	-4.7144	121a	1.5828	1.49
101a	-4.7144	122a	1.6351	2.72
101a	-4.7144	123a	1.6892	1.34
101a	-4.7144	124a	1.8317	1.4
101a	-4.7144	125a	1.8828	13.24

Warning: Σc²_i < 50 %

140 singlet∆E (eV): 6.01Osc. strength : 1.82E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	106a	0.3120	1.01
93a	-6.3992	105a	0.2614	1.65
99a	-5.7030	112a	0.9005	3.45
100a	-5.4336	117a	1.2361	2.18
101a	-4.7144	122a	1.6351	4.09
101a	-4.7144	124a	1.8317	12.25
101a	-4.7144	126a	2.0070	2.76
102a	-4.7102	122a	1.6351	1.09
102a	-4.7102	123a	1.6892	1.74
102a	-4.7102	124a	1.8317	18

Warning: Σc²_i < 50 %

141 singlet∆E (eV): 6.01Osc. strength : 3.21E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	111a	0.8241	3.02
97a	-5.7671	112a	0.9005	2.53
97a	-5.7671	115a	1.1307	4.38
97a	-5.7671	119a	1.3197	2.61
98a	-5.7542	112a	0.9005	1.51
98a	-5.7542	113a	1.0028	3.78
98a	-5.7542	116a	1.1883	1.65
98a	-5.7542	117a	1.2361	1.14
98a	-5.7542	120a	1.4051	1.73
99a	-5.7030	111a	0.8241	1.09

Warning: Σc²_i < 50 %

142 singlet∆E (eV): 6.02Osc. strength : 2.09E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	106a	0.3120	25.23
92a	-6.4258	107a	0.5279	1.4
92a	-6.4258	108a	0.5519	1.1
92a	-6.4258	109a	0.5964	1.34
92a	-6.4258	110a	0.7633	1.09
92a	-6.4258	111a	0.8241	4.89
92a	-6.4258	115a	1.1307	1.48
93a	-6.3992	105a	0.2614	2.86
96a	-5.8923	110a	0.7633	2.28
97a	-5.7671	112a	0.9005	3.94

Warning: Σc²_i < 50 %

143 singlet∆E (eV): 6.03Osc. strength : 4.09E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	106a	0.3120	5.37
94a	-6.1777	106a	0.3120	1.46
94a	-6.1777	110a	0.7633	1.09
95a	-6.1588	107a	0.5279	2.73
97a	-5.7671	112a	0.9005	7.13
97a	-5.7671	113a	1.0028	1.33
97a	-5.7671	115a	1.1307	1.06
97a	-5.7671	119a	1.3197	2.83
98a	-5.7542	109a	0.5964	1.02
98a	-5.7542	112a	0.9005	9.95

Warning: Σc²_i < 50 %

144 singlet∆E (eV): 6.04Osc. strength : 5.16E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	105a	0.2614	1.69
94a	-6.1777	106a	0.3120	1.59
95a	-6.1588	107a	0.5279	3.39
96a	-5.8923	111a	0.8241	1.49
98a	-5.7542	107a	0.5279	1.27
98a	-5.7542	112a	0.9005	18.75
99a	-5.7030	110a	0.7633	1.19
99a	-5.7030	112a	0.9005	3.61
99a	-5.7030	114a	1.0883	1.71
100a	-5.4336	115a	1.1307	1.01

Warning: Σc²_i < 50 %

145 singlet∆E (eV): 6.04Osc. strength : 4.66E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	105a	0.2614	3.02
92a	-6.4258	119a	1.3197	1.25
96a	-5.8923	108a	0.5519	1.66
96a	-5.8923	111a	0.8241	4.97
96a	-5.8923	113a	1.0028	1.41
96a	-5.8923	117a	1.2361	1.37
97a	-5.7671	112a	0.9005	1.18
97a	-5.7671	113a	1.0028	5.96
97a	-5.7671	114a	1.0883	1.58
97a	-5.7671	115a	1.1307	1.14

Warning: Σc²_i < 50 %

146 singlet∆E (eV): 6.05Osc. strength : 9.61E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	106a	0.3120	1.79
95a	-6.1588	107a	0.5279	1.99
95a	-6.1588	108a	0.5519	1.98
95a	-6.1588	109a	0.5964	1.11
97a	-5.7671	112a	0.9005	11.39
97a	-5.7671	113a	1.0028	1.99
97a	-5.7671	116a	1.1883	1.46
97a	-5.7671	119a	1.3197	1.34
98a	-5.7542	111a	0.8241	1.73
98a	-5.7542	113a	1.0028	5.91

Warning: Σc²_i < 50 %

147 singlet∆E (eV): 6.07Osc. strength : 3.70E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	106a	0.3120	1.12
92a	-6.4258	111a	0.8241	1.26
94a	-6.1777	105a	0.2614	2.4
94a	-6.1777	107a	0.5279	1.15
95a	-6.1588	107a	0.5279	8.44
96a	-5.8923	113a	1.0028	1.18
96a	-5.8923	114a	1.0883	1.14
97a	-5.7671	110a	0.7633	1.1
97a	-5.7671	112a	0.9005	1.91
97a	-5.7671	113a	1.0028	1

Warning: Σc²_i < 50 %

148 singlet∆E (eV): 6.08Osc. strength : 1.93E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	107a	0.5279	3.54
95a	-6.1588	105a	0.2614	1.11
95a	-6.1588	107a	0.5279	6.47
95a	-6.1588	109a	0.5964	2.8
96a	-5.8923	110a	0.7633	2.11
96a	-5.8923	111a	0.8241	2.12
97a	-5.7671	112a	0.9005	1.12
98a	-5.7542	113a	1.0028	1.84
99a	-5.7030	112a	0.9005	4.07
99a	-5.7030	113a	1.0028	23.87

Warning: Σc²_i < 50 %

149 singlet∆E (eV): 6.09Osc. strength : 7.83E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	105a	0.2614	1
92a	-6.4258	111a	0.8241	1.35
93a	-6.3992	105a	0.2614	1.1
94a	-6.1777	107a	0.5279	3.79
94a	-6.1777	109a	0.5964	1.29
95a	-6.1588	105a	0.2614	2.32
95a	-6.1588	107a	0.5279	18.78
95a	-6.1588	108a	0.5519	2.03
95a	-6.1588	109a	0.5964	5.88
96a	-5.8923	111a	0.8241	2.64

Warning: Σc²_i < 50 %

150 singlet∆E (eV): 6.09Osc. strength : 2.51E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	111a	0.8241	3.59
92a	-6.4258	112a	0.9005	1.29
92a	-6.4258	119a	1.3197	1.38
94a	-6.1777	107a	0.5279	8.54
94a	-6.1777	109a	0.5964	1.64
95a	-6.1588	107a	0.5279	4.43
95a	-6.1588	109a	0.5964	16.94
95a	-6.1588	110a	0.7633	1.31
96a	-5.8923	113a	1.0028	1.08
97a	-5.7671	112a	0.9005	1.41

Warning: Σc²_i < 50 %

151 singlet∆E (eV): 6.10Osc. strength : 7.56E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
95a	-6.1588	108a	0.5519	1.19
98a	-5.7542	112a	0.9005	1.28
98a	-5.7542	113a	1.0028	17.14
98a	-5.7542	116a	1.1883	12.45
98a	-5.7542	118a	1.2697	2.5
98a	-5.7542	120a	1.4051	1.7
99a	-5.7030	112a	0.9005	1.63
99a	-5.7030	115a	1.1307	1.01
100a	-5.4336	116a	1.1883	8.96
100a	-5.4336	117a	1.2361	1.07

Warning: Σc²_i < 50 %

152 singlet∆E (eV): 6.10Osc. strength : 2.86E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	106a	0.3120	2.29
92a	-6.4258	111a	0.8241	1.07
92a	-6.4258	115a	1.1307	1.35
92a	-6.4258	119a	1.3197	1.05
94a	-6.1777	107a	0.5279	2.35
94a	-6.1777	109a	0.5964	2.79
95a	-6.1588	107a	0.5279	1.72
95a	-6.1588	109a	0.5964	5.02
96a	-5.8923	111a	0.8241	1.31
96a	-5.8923	113a	1.0028	1.49

Warning: Σc²_i < 50 %

153 singlet∆E (eV): 6.11Osc. strength : 1.41E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	107a	0.5279	7.43
95a	-6.1588	107a	0.5279	1.17
95a	-6.1588	108a	0.5519	1.71
95a	-6.1588	109a	0.5964	5.1
96a	-5.8923	111a	0.8241	1.24
96a	-5.8923	113a	1.0028	1.23
97a	-5.7671	111a	0.8241	1.3
97a	-5.7671	112a	0.9005	14.69
97a	-5.7671	114a	1.0883	2.36
97a	-5.7671	115a	1.1307	2.51

Warning: Σc²_i < 50 %

154 singlet∆E (eV): 6.12Osc. strength : 1.12E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	106a	0.3120	3.56
92a	-6.4258	119a	1.3197	1.88
94a	-6.1777	107a	0.5279	2.26
94a	-6.1777	109a	0.5964	3.41
95a	-6.1588	107a	0.5279	1.37
95a	-6.1588	108a	0.5519	1.48
96a	-5.8923	113a	1.0028	1.75
97a	-5.7671	112a	0.9005	2.07
98a	-5.7542	112a	0.9005	3.86
98a	-5.7542	115a	1.1307	4.03

Warning: Σc²_i < 50 %

155 singlet∆E (eV): 6.12Osc. strength : 1.17E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	111a	0.8241	1.72
94a	-6.1777	105a	0.2614	1.55
94a	-6.1777	107a	0.5279	20.36
94a	-6.1777	109a	0.5964	1.07
94a	-6.1777	111a	0.8241	2.18
94a	-6.1777	112a	0.9005	1
95a	-6.1588	105a	0.2614	1.84
95a	-6.1588	106a	0.3120	1.24
95a	-6.1588	107a	0.5279	1.17
95a	-6.1588	109a	0.5964	2.95

Warning: Σc²_i < 50 %

156 singlet∆E (eV): 6.13Osc. strength : 2.58E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	107a	0.5279	1.74
95a	-6.1588	108a	0.5519	6.21
97a	-5.7671	111a	0.8241	1.14
97a	-5.7671	113a	1.0028	3.05
97a	-5.7671	115a	1.1307	1.43
99a	-5.7030	113a	1.0028	3.52
99a	-5.7030	114a	1.0883	1.85
100a	-5.4336	116a	1.1883	7.6
100a	-5.4336	117a	1.2361	1.06
101a	-4.7144	123a	1.6892	1.1

Warning: Σc²_i < 50 %

157 singlet∆E (eV): 6.13Osc. strength : 1.40E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	105a	0.2614	3.28
93a	-6.3992	106a	0.3120	2.6
94a	-6.1777	107a	0.5279	1.01
94a	-6.1777	108a	0.5519	1.07
94a	-6.1777	109a	0.5964	1.39
94a	-6.1777	112a	0.9005	1.23
95a	-6.1588	105a	0.2614	1.06
95a	-6.1588	106a	0.3120	1.38
95a	-6.1588	107a	0.5279	1.65
95a	-6.1588	108a	0.5519	25.41

Warning: Σc²_i < 50 %

158 singlet∆E (eV): 6.14Osc. strength : 1.47E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	108a	0.5519	2.73
94a	-6.1777	109a	0.5964	4.83
95a	-6.1588	107a	0.5279	4.35
95a	-6.1588	108a	0.5519	1.42
95a	-6.1588	109a	0.5964	15.07
97a	-5.7671	112a	0.9005	3.89
97a	-5.7671	115a	1.1307	1.39
98a	-5.7542	112a	0.9005	2.97
98a	-5.7542	113a	1.0028	1.73
98a	-5.7542	115a	1.1307	1.65

Warning: Σc²_i < 50 %

159 singlet∆E (eV): 6.15Osc. strength : 3.83E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	107a	0.5279	1.1
94a	-6.1777	108a	0.5519	2
94a	-6.1777	109a	0.5964	3.97
95a	-6.1588	107a	0.5279	4.37
95a	-6.1588	108a	0.5519	9.11
95a	-6.1588	109a	0.5964	7.33
97a	-5.7671	112a	0.9005	1.64
98a	-5.7542	114a	1.0883	2.04
99a	-5.7030	114a	1.0883	2.15
99a	-5.7030	115a	1.1307	1.37

Warning: Σc²_i < 50 %

160 singlet∆E (eV): 6.15Osc. strength : 5.41E-04

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	107a	0.5279	1.3
94a	-6.1777	109a	0.5964	4.22
95a	-6.1588	107a	0.5279	1.44
95a	-6.1588	109a	0.5964	1.34
98a	-5.7542	112a	0.9005	1.02
101a	-4.7144	122a	1.6351	3.65
101a	-4.7144	126a	2.0070	24.87
101a	-4.7144	127a	2.0537	4.47
101a	-4.7144	135a	2.7616	1.39
102a	-4.7102	122a	1.6351	5.16

Warning: Σc²_i < 50 %

161 singlet∆E (eV): 6.15Osc. strength : 1.64E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	108a	0.5519	1.09
94a	-6.1777	105a	0.2614	3.16
94a	-6.1777	106a	0.3120	3.11
94a	-6.1777	108a	0.5519	8.71
94a	-6.1777	109a	0.5964	7.85
94a	-6.1777	113a	1.0028	1.29
95a	-6.1588	107a	0.5279	1.73
95a	-6.1588	109a	0.5964	14.88
95a	-6.1588	110a	0.7633	5.61
95a	-6.1588	111a	0.8241	1.09

Warning: Σc²_i < 50 %

162 singlet∆E (eV): 6.16Osc. strength : 9.23E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	107a	0.5279	1.12
94a	-6.1777	108a	0.5519	11.05
94a	-6.1777	109a	0.5964	3.63
95a	-6.1588	108a	0.5519	1.33
97a	-5.7671	113a	1.0028	1
98a	-5.7542	114a	1.0883	1.02
98a	-5.7542	115a	1.1307	3.02
99a	-5.7030	113a	1.0028	1.33
99a	-5.7030	115a	1.1307	1.01
99a	-5.7030	116a	1.1883	1.24

Warning: Σc²_i < 50 %

163 singlet∆E (eV): 6.16Osc. strength : 2.44E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
94a	-6.1777	109a	0.5964	1.94
95a	-6.1588	109a	0.5964	2.75
96a	-5.8923	111a	0.8241	1.59
97a	-5.7671	110a	0.7633	2.32
97a	-5.7671	112a	0.9005	1.17
97a	-5.7671	113a	1.0028	6.49
97a	-5.7671	117a	1.2361	1.14
98a	-5.7542	114a	1.0883	6.22
98a	-5.7542	115a	1.1307	1.71
99a	-5.7030	112a	0.9005	1.92

Warning: Σc²_i < 50 %

164 singlet∆E (eV): 6.17Osc. strength : 8.15E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	107a	0.5279	1.19
93a	-6.3992	108a	0.5519	2.1
94a	-6.1777	108a	0.5519	12.46
94a	-6.1777	109a	0.5964	6.51
95a	-6.1588	108a	0.5519	4.6
97a	-5.7671	115a	1.1307	1.52
98a	-5.7542	114a	1.0883	4.59
98a	-5.7542	115a	1.1307	2.25
99a	-5.7030	113a	1.0028	4.01
99a	-5.7030	114a	1.0883	2.38

Warning: Σc²_i < 50 %

165 singlet∆E (eV): 6.18Osc. strength : 7.41E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	106a	0.3120	1.05
92a	-6.4258	106a	0.3120	1.21
92a	-6.4258	119a	1.3197	1.96
94a	-6.1777	109a	0.5964	26.12
94a	-6.1777	111a	0.8241	2.74
94a	-6.1777	115a	1.1307	2.32
94a	-6.1777	119a	1.3197	1.31
95a	-6.1588	108a	0.5519	1.11
95a	-6.1588	110a	0.7633	1.42
96a	-5.8923	115a	1.1307	1.41

Warning: Σc²_i < 50 %

166 singlet∆E (eV): 6.19Osc. strength : 4.00E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	109a	0.5964	1.18
94a	-6.1777	108a	0.5519	1.93
94a	-6.1777	109a	0.5964	2.4
94a	-6.1777	110a	0.7633	2.43
96a	-5.8923	111a	0.8241	1.87
96a	-5.8923	112a	0.9005	6.91
97a	-5.7671	110a	0.7633	2.07
97a	-5.7671	112a	0.9005	4.41
97a	-5.7671	113a	1.0028	24.66
97a	-5.7671	114a	1.0883	1.09

Warning: Σc²_i < 50 %

167 singlet∆E (eV): 6.20Osc. strength : 3.86E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	107a	0.5279	1.22
92a	-6.4258	109a	0.5964	1.07
93a	-6.3992	107a	0.5279	1.9
93a	-6.3992	109a	0.5964	2.05
94a	-6.1777	110a	0.7633	1.01
95a	-6.1588	107a	0.5279	1.03
95a	-6.1588	110a	0.7633	2.34
96a	-5.8923	113a	1.0028	1.3
97a	-5.7671	114a	1.0883	4.44
97a	-5.7671	119a	1.3197	1.32

Warning: Σc²_i < 50 %

168 singlet∆E (eV): 6.20Osc. strength : 4.54E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	105a	0.2614	3.97
91a	-6.8956	109a	0.5964	1.05
92a	-6.4258	107a	0.5279	3.75
92a	-6.4258	109a	0.5964	4.46
93a	-6.3992	107a	0.5279	20.56
93a	-6.3992	108a	0.5519	2.48
93a	-6.3992	109a	0.5964	9.25
94a	-6.1777	108a	0.5519	1.3
94a	-6.1777	109a	0.5964	5.58
96a	-5.8923	112a	0.9005	1.3

169 singlet∆E (eV): 6.20Osc. strength : 1.63E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	112a	0.9005	1.09
97a	-5.7671	113a	1.0028	2.05
97a	-5.7671	114a	1.0883	7.11
97a	-5.7671	115a	1.1307	1.57
97a	-5.7671	116a	1.1883	1.05
97a	-5.7671	118a	1.2697	1.35
99a	-5.7030	114a	1.0883	1.18
99a	-5.7030	116a	1.1883	1.08
101a	-4.7144	122a	1.6351	1.21
101a	-4.7144	123a	1.6892	2.22

Warning: Σc²_i < 50 %

170 singlet∆E (eV): 6.21Osc. strength : 2.52E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
97a	-5.7671	114a	1.0883	1.45
98a	-5.7542	114a	1.0883	1.8
99a	-5.7030	114a	1.0883	1.87
99a	-5.7030	116a	1.1883	1.27
99a	-5.7030	117a	1.2361	4.58
100a	-5.4336	118a	1.2697	3.5
101a	-4.7144	124a	1.8317	3.63
101a	-4.7144	126a	2.0070	2.62
101a	-4.7144	127a	2.0537	5.09
101a	-4.7144	128a	2.1783	1.37

Warning: Σc²_i < 50 %

171 singlet∆E (eV): 6.22Osc. strength : 1.04E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	105a	0.2614	1.55
93a	-6.3992	107a	0.5279	3.75
93a	-6.3992	109a	0.5964	2.6
94a	-6.1777	107a	0.5279	2.23
94a	-6.1777	108a	0.5519	7.19
94a	-6.1777	109a	0.5964	4.24
94a	-6.1777	111a	0.8241	1
95a	-6.1588	108a	0.5519	4.24
95a	-6.1588	109a	0.5964	1.15
95a	-6.1588	110a	0.7633	1.75

Warning: Σc²_i < 50 %

172 singlet∆E (eV): 6.22Osc. strength : 2.25E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	105a	0.2614	2.3
92a	-6.4258	111a	0.8241	1.72
93a	-6.3992	107a	0.5279	6.42
93a	-6.3992	108a	0.5519	1.02
93a	-6.3992	109a	0.5964	3.87
94a	-6.1777	107a	0.5279	1.27
94a	-6.1777	109a	0.5964	1.58
95a	-6.1588	111a	0.8241	1.27
96a	-5.8923	112a	0.9005	2.56
97a	-5.7671	108a	0.5519	1.36

Warning: Σc²_i < 50 %

173 singlet∆E (eV): 6.22Osc. strength : 5.77E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	106a	0.3120	1.13
92a	-6.4258	119a	1.3197	1.05
93a	-6.3992	108a	0.5519	1.65
93a	-6.3992	109a	0.5964	1.95
94a	-6.1777	119a	1.3197	1.81
96a	-5.8923	110a	0.7633	1.34
96a	-5.8923	111a	0.8241	5.9
96a	-5.8923	112a	0.9005	2.33
96a	-5.8923	113a	1.0028	1.37
97a	-5.7671	113a	1.0028	1.06

Warning: Σc²_i < 50 %

174 singlet∆E (eV): 6.24Osc. strength : 6.60E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	106a	0.3120	1.3
92a	-6.4258	107a	0.5279	5.36
92a	-6.4258	109a	0.5964	6.42
92a	-6.4258	111a	0.8241	2.12
92a	-6.4258	115a	1.1307	3.37
92a	-6.4258	119a	1.3197	1.64
93a	-6.3992	107a	0.5279	5.72
94a	-6.1777	108a	0.5519	4.17
94a	-6.1777	111a	0.8241	1.46
95a	-6.1588	110a	0.7633	4.96

Warning: Σc²_i < 50 %

175 singlet∆E (eV): 6.25Osc. strength : 3.38E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	106a	0.3120	1.03
92a	-6.4258	107a	0.5279	2.46
92a	-6.4258	109a	0.5964	4.9
92a	-6.4258	115a	1.1307	1.79
92a	-6.4258	119a	1.3197	1.01
93a	-6.3992	107a	0.5279	2.99
93a	-6.3992	109a	0.5964	3.74
94a	-6.1777	108a	0.5519	5.26
94a	-6.1777	109a	0.5964	1.19
95a	-6.1588	108a	0.5519	1.88

Warning: Σc²_i < 50 %

176 singlet∆E (eV): 6.25Osc. strength : 2.99E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	106a	0.3120	1.9
92a	-6.4258	109a	0.5964	1.04
92a	-6.4258	111a	0.8241	1.04
93a	-6.3992	109a	0.5964	5.88
94a	-6.1777	108a	0.5519	1.48
94a	-6.1777	110a	0.7633	3.88
96a	-5.8923	111a	0.8241	1.79
96a	-5.8923	112a	0.9005	2.22
96a	-5.8923	114a	1.0883	2.21
97a	-5.7671	110a	0.7633	1.05

Warning: Σc²_i < 50 %

177 singlet∆E (eV): 6.26Osc. strength : 6.81E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	106a	0.3120	1.96
93a	-6.3992	108a	0.5519	2.25
93a	-6.3992	109a	0.5964	10.61
94a	-6.1777	110a	0.7633	1
95a	-6.1588	110a	0.7633	3.46
96a	-5.8923	110a	0.7633	1.64
96a	-5.8923	112a	0.9005	4.99
96a	-5.8923	113a	1.0028	1.75
97a	-5.7671	113a	1.0028	1.36
97a	-5.7671	115a	1.1307	1.51

Warning: Σc²_i < 50 %

178 singlet∆E (eV): 6.27Osc. strength : 1.77E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	105a	0.2614	1.26
91a	-6.8956	106a	0.3120	2.88
93a	-6.3992	108a	0.5519	12.31
93a	-6.3992	109a	0.5964	9.76
93a	-6.3992	110a	0.7633	1.35
94a	-6.1777	109a	0.5964	1.42
94a	-6.1777	110a	0.7633	7.5
95a	-6.1588	111a	0.8241	1.32
96a	-5.8923	111a	0.8241	1.26
96a	-5.8923	112a	0.9005	1.74

Warning: Σc²_i < 50 %

179 singlet∆E (eV): 6.27Osc. strength : 3.62E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	109a	0.5964	1.48
93a	-6.3992	107a	0.5279	3.78
93a	-6.3992	109a	0.5964	1.36
94a	-6.1777	108a	0.5519	1.73
94a	-6.1777	111a	0.8241	1
95a	-6.1588	110a	0.7633	2.56
95a	-6.1588	111a	0.8241	1.39
96a	-5.8923	112a	0.9005	13.86
96a	-5.8923	113a	1.0028	1.62
96a	-5.8923	115a	1.1307	2.83

Warning: Σc²_i < 50 %

180 singlet∆E (eV): 6.28Osc. strength : 5.23E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	108a	0.5519	2.18
95a	-6.1588	108a	0.5519	1.28
95a	-6.1588	110a	0.7633	6
95a	-6.1588	111a	0.8241	1.42
96a	-5.8923	112a	0.9005	6.86
96a	-5.8923	113a	1.0028	3.9
96a	-5.8923	115a	1.1307	2.42
99a	-5.7030	117a	1.2361	2.93
100a	-5.4336	119a	1.3197	1.42
100a	-5.4336	120a	1.4051	1.91

Warning: Σc²_i < 50 %

181 singlet∆E (eV): 6.28Osc. strength : 5.68E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	109a	0.5964	1.74
94a	-6.1777	110a	0.7633	4.79
95a	-6.1588	108a	0.5519	2.01
95a	-6.1588	110a	0.7633	4.68
96a	-5.8923	111a	0.8241	2.67
96a	-5.8923	113a	1.0028	9.34
96a	-5.8923	117a	1.2361	1.89
97a	-5.7671	117a	1.2361	1.66
97a	-5.7671	118a	1.2697	1.17
98a	-5.7542	115a	1.1307	1.54

Warning: Σc²_i < 50 %

182 singlet∆E (eV): 6.29Osc. strength : 3.87E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	107a	0.5279	2.89
93a	-6.3992	108a	0.5519	5.49
96a	-5.8923	113a	1.0028	4.76
96a	-5.8923	114a	1.0883	15.12
97a	-5.7671	115a	1.1307	3.4
97a	-5.7671	116a	1.1883	1.44
97a	-5.7671	117a	1.2361	1.6
97a	-5.7671	118a	1.2697	1.98
98a	-5.7542	113a	1.0028	4.14
98a	-5.7542	116a	1.1883	3.58

Warning: Σc²_i < 50 %

183 singlet∆E (eV): 6.30Osc. strength : 2.72E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	107a	0.5279	3.07
93a	-6.3992	107a	0.5279	3.91
93a	-6.3992	108a	0.5519	3.66
93a	-6.3992	109a	0.5964	2.9
94a	-6.1777	110a	0.7633	2.48
95a	-6.1588	110a	0.7633	7.43
96a	-5.8923	112a	0.9005	1.58
96a	-5.8923	114a	1.0883	3.26
96a	-5.8923	115a	1.1307	1.78
97a	-5.7671	114a	1.0883	1.29

Warning: Σc²_i < 50 %

184 singlet∆E (eV): 6.30Osc. strength : 1.78E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	107a	0.5279	1.82
92a	-6.4258	111a	0.8241	1.49
94a	-6.1777	110a	0.7633	4.18
95a	-6.1588	110a	0.7633	2.14
96a	-5.8923	113a	1.0028	3.77
96a	-5.8923	114a	1.0883	11.32
97a	-5.7671	117a	1.2361	1.79
98a	-5.7542	114a	1.0883	2.14
98a	-5.7542	117a	1.2361	1.63
98a	-5.7542	118a	1.2697	1.58

Warning: Σc²_i < 50 %

185 singlet∆E (eV): 6.31Osc. strength : 6.60E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	106a	0.3120	2.17
92a	-6.4258	107a	0.5279	5.47
92a	-6.4258	111a	0.8241	3.94
93a	-6.3992	107a	0.5279	4.02
93a	-6.3992	109a	0.5964	1.82
94a	-6.1777	110a	0.7633	1.06
96a	-5.8923	113a	1.0028	2.77
97a	-5.7671	114a	1.0883	1.56
97a	-5.7671	116a	1.1883	2.64
98a	-5.7542	110a	0.7633	1.91

Warning: Σc²_i < 50 %

186 singlet∆E (eV): 6.32Osc. strength : 2.09E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	107a	0.5279	1.36
93a	-6.3992	108a	0.5519	1.52
93a	-6.3992	109a	0.5964	1.24
96a	-5.8923	114a	1.0883	2.42
98a	-5.7542	115a	1.1307	1.57
98a	-5.7542	117a	1.2361	4.3
98a	-5.7542	118a	1.2697	1.38
99a	-5.7030	117a	1.2361	1.01
99a	-5.7030	118a	1.2697	3.82
99a	-5.7030	120a	1.4051	3.5

Warning: Σc²_i < 50 %

187 singlet∆E (eV): 6.33Osc. strength : 2.03E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	107a	0.5279	6.14
92a	-6.4258	108a	0.5519	2.48
92a	-6.4258	111a	0.8241	3.13
92a	-6.4258	115a	1.1307	2.03
92a	-6.4258	119a	1.3197	2.34
93a	-6.3992	107a	0.5279	4.68
93a	-6.3992	108a	0.5519	11.62
94a	-6.1777	110a	0.7633	6.45
94a	-6.1777	112a	0.9005	1.98
96a	-5.8923	114a	1.0883	2.37

Warning: Σc²_i < 50 %

188 singlet∆E (eV): 6.33Osc. strength : 9.22E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
93a	-6.3992	107a	0.5279	1.34
94a	-6.1777	110a	0.7633	2.04
97a	-5.7671	116a	1.1883	3.44
97a	-5.7671	117a	1.2361	3.17
99a	-5.7030	116a	1.1883	3.31
99a	-5.7030	118a	1.2697	1.13
101a	-4.7144	126a	2.0070	7.41
101a	-4.7144	127a	2.0537	5.64
101a	-4.7144	128a	2.1783	1.07
101a	-4.7144	129a	2.2772	2.25

Warning: Σc²_i < 50 %

189 singlet∆E (eV): 6.34Osc. strength : 7.95E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	106a	0.3120	1.05
92a	-6.4258	107a	0.5279	9.18
92a	-6.4258	109a	0.5964	6.65
92a	-6.4258	111a	0.8241	4.55
92a	-6.4258	115a	1.1307	1.13
93a	-6.3992	109a	0.5964	1.52
95a	-6.1588	110a	0.7633	3
96a	-5.8923	115a	1.1307	5.56
97a	-5.7671	114a	1.0883	1.09
97a	-5.7671	115a	1.1307	1.23

Warning: Σc²_i < 50 %

190 singlet∆E (eV): 6.34Osc. strength : 1.05E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	107a	0.5279	11.78
92a	-6.4258	109a	0.5964	1.37
92a	-6.4258	111a	0.8241	4.35
93a	-6.3992	109a	0.5964	2.02
93a	-6.3992	110a	0.7633	1.1
94a	-6.1777	110a	0.7633	1.07
95a	-6.1588	110a	0.7633	1.44
96a	-5.8923	112a	0.9005	1.07
97a	-5.7671	116a	1.1883	4.72
97a	-5.7671	117a	1.2361	4.67

Warning: Σc²_i < 50 %

191 singlet∆E (eV): 6.34Osc. strength : 6.39E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	107a	0.5279	1.38
93a	-6.3992	107a	0.5279	2.61
93a	-6.3992	108a	0.5519	3.85
94a	-6.1777	110a	0.7633	5.7
95a	-6.1588	110a	0.7633	6.8
96a	-5.8923	114a	1.0883	1.87
97a	-5.7671	114a	1.0883	1.06
97a	-5.7671	116a	1.1883	12.93
97a	-5.7671	119a	1.3197	4.42
98a	-5.7542	116a	1.1883	3.65

Warning: Σc²_i < 50 %

192 singlet∆E (eV): 6.36Osc. strength : 3.02E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	108a	0.5519	1.3
92a	-6.4258	109a	0.5964	3.06
92a	-6.4258	115a	1.1307	1.5
94a	-6.1777	110a	0.7633	3.17
96a	-5.8923	114a	1.0883	2.54
96a	-5.8923	115a	1.1307	1.95
96a	-5.8923	116a	1.1883	5.36
97a	-5.7671	116a	1.1883	9.57
97a	-5.7671	118a	1.2697	3.14
97a	-5.7671	119a	1.3197	1.28

Warning: Σc²_i < 50 %

193 singlet∆E (eV): 6.36Osc. strength : 1.87E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	106a	0.3120	1.04
92a	-6.4258	105a	0.2614	1.1
92a	-6.4258	107a	0.5279	2.96
92a	-6.4258	108a	0.5519	4.2
92a	-6.4258	109a	0.5964	1.81
94a	-6.1777	110a	0.7633	8.92
95a	-6.1588	110a	0.7633	4.39
96a	-5.8923	108a	0.5519	1.11
96a	-5.8923	114a	1.0883	9.93
96a	-5.8923	115a	1.1307	1.27

Warning: Σc²_i < 50 %

194 singlet∆E (eV): 6.37Osc. strength : 1.06E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	107a	0.5279	1
92a	-6.4258	109a	0.5964	12.42
92a	-6.4258	111a	0.8241	1.14
92a	-6.4258	115a	1.1307	1.35
94a	-6.1777	110a	0.7633	2.02
95a	-6.1588	110a	0.7633	1.42
96a	-5.8923	114a	1.0883	1.94
96a	-5.8923	116a	1.1883	1.72
99a	-5.7030	116a	1.1883	1.26
100a	-5.4336	121a	1.5828	4.88

Warning: Σc²_i < 50 %

195 singlet∆E (eV): 6.37Osc. strength : 1.82E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	107a	0.5279	11.55
92a	-6.4258	108a	0.5519	3.09
92a	-6.4258	109a	0.5964	16.25
93a	-6.3992	108a	0.5519	1.13
96a	-5.8923	112a	0.9005	1.03
96a	-5.8923	113a	1.0028	1.01
96a	-5.8923	115a	1.1307	7.22
97a	-5.7671	115a	1.1307	1.07
97a	-5.7671	116a	1.1883	2.28
97a	-5.7671	117a	1.2361	5.2

Warning: Σc²_i < 50 %

196 singlet∆E (eV): 6.37Osc. strength : 4.61E-03

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	107a	0.5279	1.48
92a	-6.4258	109a	0.5964	7.03
97a	-5.7671	117a	1.2361	4.48
98a	-5.7542	113a	1.0028	1.38
101a	-4.7144	123a	1.6892	1.04
101a	-4.7144	126a	2.0070	3.44
101a	-4.7144	127a	2.0537	2.21
101a	-4.7144	128a	2.1783	14.54
101a	-4.7144	131a	2.4876	1.31
102a	-4.7102	126a	2.0070	2.72

Warning: Σc²_i < 50 %

197 singlet∆E (eV): 6.38Osc. strength : 3.08E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
96a	-5.8923	115a	1.1307	1.5
97a	-5.7671	118a	1.2697	3.85
99a	-5.7030	117a	1.2361	3.1
99a	-5.7030	119a	1.3197	2.01
100a	-5.4336	121a	1.5828	2.98
101a	-4.7144	125a	1.8828	1.86
101a	-4.7144	126a	2.0070	3.05
101a	-4.7144	127a	2.0537	1.8
101a	-4.7144	128a	2.1783	3.64
101a	-4.7144	129a	2.2772	4.08

Warning: Σc²_i < 50 %

198 singlet∆E (eV): 6.38Osc. strength : 1.00E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
92a	-6.4258	108a	0.5519	1.08
92a	-6.4258	109a	0.5964	1.05
93a	-6.3992	108a	0.5519	1.14
96a	-5.8923	115a	1.1307	3.78
97a	-5.7671	117a	1.2361	1.81
97a	-5.7671	118a	1.2697	1.54
100a	-5.4336	121a	1.5828	4.03
101a	-4.7144	123a	1.6892	1.45
101a	-4.7144	125a	1.8828	2.01
101a	-4.7144	126a	2.0070	1.65

Warning: Σc²_i < 50 %

199 singlet∆E (eV): 6.39Osc. strength : 1.78E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	105a	0.2614	1.33
93a	-6.3992	108a	0.5519	2.6
93a	-6.3992	110a	0.7633	2.25
96a	-5.8923	112a	0.9005	1.13
96a	-5.8923	113a	1.0028	1.12
96a	-5.8923	115a	1.1307	2.02
97a	-5.7671	113a	1.0028	1.13
97a	-5.7671	116a	1.1883	6.03
97a	-5.7671	117a	1.2361	2.19
97a	-5.7671	118a	1.2697	18.46

Warning: Σc²_i < 50 %

200 singlet∆E (eV): 6.40Osc. strength : 4.07E-02

occ. orbital	energy / eV	virt. orbital	energy / eV	\|coeff.\|^2*100
91a	-6.8956	105a	0.2614	1.25
92a	-6.4258	105a	0.2614	1.68
92a	-6.4258	106a	0.3120	2.6
92a	-6.4258	108a	0.5519	12.54
92a	-6.4258	110a	0.7633	3.08
92a	-6.4258	111a	0.8241	1.9
92a	-6.4258	119a	1.3197	1.61
93a	-6.3992	108a	0.5519	2.08
96a	-5.8923	115a	1.1307	12.09
96a	-5.8923	116a	1.1883	7.65

Warning: Σc²_i < 50 %

Final results


Total Energy	-1966.69029068	Eh
Final Single Point Energy	-1966.61313869
CPCM Dielectric	-0.91580033	Eh
Nuclear Repulsion	2782.69759457	Eh

Report data

This HTML file

Title:	/Principal_dataset/3f 3f-f-anion_methanol__TDDFT
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/328791
Program:	Orca 5.0.4 - RELEASE
Author:	Nesterov, Dmytro
Formula:	C16H12N6O3S2
Calculation type:	Single point
Method:	TDDFT ( PBE0 )

GENERAL INFO

JOB |

Atomic coordinates [Å]

MOLECULAR INFO

Bond distances

Solvation input

Parameters:

Radii (Å):

Total SCF energy

Population analysis

Loewdin

Mulliken atomic charges

Electrostatic moments

Charge

Dipole moment

Frontier orbitals

TDHF / TDDFT

Dominant contributions

SINGLET

Final results