CCCBDB calculation results Page

State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C3	¹A

Energy calculated at B3LYPultrafine/6-31G*

	hartrees
Energy at 0K	-733.660880
Energy at 298.15K
HF Energy	-733.660880
Nuclear repulsion energy	1279.318294

The energy at 298.15K was derived from the energy at 0K and an integrated heat capacity that used the calculated vibrational frequencies.

Vibrational Frequencies calculated at B3LYPultrafine/6-31G*

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3076	13.03
2	A	3204	3069	8.63
3	A	3192	3058	55.69
4	A	3182	3048	0.05
5	A	3173	3040	6.50
6	A	3028	2901	11.86
7	A	1666	1596	0.00
8	A	1640	1571	3.28
9	A	1545	1480	1.17
10	A	1494	1432	10.40
11	A	1370	1312	1.73
12	A	1339	1283	0.82
13	A	1218	1167	0.28
14	A	1192	1142	0.08
15	A	1189	1139	0.02
16	A	1117	1070	9.33
17	A	1059	1014	0.05
18	A	1019	976	0.07
19	A	996	955	0.06
20	A	972	931	0.00
21	A	935	896	0.91
22	A	865	828	0.00
23	A	835	800	2.09
24	A	748	717	22.76
25	A	717	687	14.36
26	A	675	647	1.92
27	A	633	607	0.35
28	A	482	461	1.61
29	A	419	402	0.00
30	A	269	258	0.07
31	A	213	204	0.35
32	A	88	84	0.15
33	A	42	40	0.00
34	E	3210	3075	13.98
34	E	3210	3075	13.98
35	E	3203	3069	45.51
35	E	3203	3069	45.51
36	E	3192	3058	11.95
36	E	3192	3058	11.95
37	E	3182	3048	0.42
37	E	3182	3048	0.42
38	E	3173	3040	6.34
38	E	3173	3040	6.34
39	E	1660	1590	11.50
39	E	1660	1590	11.50
40	E	1644	1575	0.64
40	E	1644	1575	0.64
41	E	1544	1479	20.62
41	E	1544	1479	20.62
42	E	1501	1438	4.09
42	E	1501	1438	4.09
43	E	1381	1323	0.57
43	E	1381	1323	0.57
44	E	1366	1308	2.33
44	E	1366	1308	2.33
45	E	1290	1236	3.34
45	E	1290	1236	3.34
46	E	1218	1167	1.89
46	E	1218	1167	1.89
47	E	1213	1162	0.21
47	E	1213	1162	0.21
48	E	1193	1143	0.03
48	E	1193	1143	0.03
49	E	1111	1065	0.30
49	E	1111	1065	0.30
50	E	1061	1016	6.18
50	E	1061	1016	6.18
51	E	1019	976	1.91
51	E	1019	976	1.91
52	E	995	953	0.10
52	E	995	953	0.10
53	E	970	929	0.03
53	E	970	929	0.03
54	E	935	896	1.71
54	E	935	896	1.71
55	E	877	840	0.91
55	E	877	840	0.91
56	E	862	826	0.00
56	E	862	826	0.00
57	E	772	739	19.52
57	E	772	739	19.52
58	E	716	686	30.07
58	E	716	686	30.07
59	E	637	610	2.68
59	E	637	610	2.68
60	E	619	593	13.66
60	E	619	593	13.66
61	E	506	485	2.31
61	E	506	485	2.31
62	E	416	399	0.20
62	E	416	399	0.20
63	E	297	285	0.53
63	E	297	285	0.53
64	E	235	225	0.66
64	E	235	225	0.66
65	E	64	61	0.07
65	E	64	61	0.07
66	E	25	24	0.05
66	E	25	24	0.05

Unscaled Zero Point Vibrational Energy (zpe) 63946.8 cm^-1
Scaled (by 0.958) Zero Point Vibrational Energy (zpe) 61261.0 cm^-1
See section III.C.1 List or set vibrational scaling factors to change the scale factors used here.
See section III.C.2 Calculate a vibrational scaling factor for a given set of molecules to determine the least squares best scaling factor.

Rotational Constants (cm^-1) from geometry optimized at B3LYPultrafine/6-31G*

A	B	C
0.01283	0.01283	0.00753

See section I.F.4 to change rotational constant units

Geometric Data calculated at B3LYPultrafine/6-31G*

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.741
H2	0.000	0.000	1.840
C3	0.000	1.475	0.324
C4	1.277	-0.737	0.324
C5	-1.277	-0.737	0.324
C6	0.667	1.938	-0.816
C7	1.345	-1.547	-0.816
C8	-2.012	-0.391	-0.816
C9	-0.714	2.400	1.100
C10	2.436	-0.582	1.100
C11	-1.722	-1.818	1.100
C12	0.617	3.287	-1.175
C13	2.539	-2.178	-1.175
C14	-3.155	-1.110	-1.175
C15	-0.763	3.748	0.747
C16	3.627	-1.213	0.747
C17	-2.864	-2.535	0.747
C18	-0.097	4.197	-0.395
C19	3.684	-2.015	-0.395
C20	-3.586	-2.183	-0.395
H21	1.240	1.242	-1.423
H22	0.456	-1.695	-1.423
H23	-1.696	0.452	-1.423
H24	-1.239	2.057	1.988
H25	2.401	0.045	1.988
H26	-1.161	-2.101	1.988
H27	1.143	3.626	-2.063
H28	2.569	-2.803	-2.063
H29	-3.712	-0.823	-2.063
H30	-1.319	4.448	1.366
H31	4.511	-1.082	1.366
H32	-3.192	-3.366	1.366
H33	-0.131	5.248	-0.671
H34	4.610	-2.510	-0.671
H35	-4.479	-2.738	-0.671

Atom - Atom Distances (Å)

	C1	H2	C3	C4	C5	C6	C7	C8	C9	C10	C11	C12	C13	C14	C15	C16	C17	C18	C19	C20	H21	H22	H23	H24	H25	H26	H27	H28	H29	H30	H31	H32	H33	H34	H35
C1		1.0982	1.5326	1.5326	1.5326	2.5742	2.5742	2.5742	2.5295	2.5295	2.5295	3.8548	3.8548	3.8548	3.8248	3.8248	3.8248	4.3497	4.3497	4.3497	2.7864	2.7864	2.7864	2.7055	2.7055	2.7055	4.7248	4.7248	4.7248	4.6810	4.6810	4.6810	5.4364	5.4364	5.4364
H2	1.0982		2.1145	2.1145	2.1145	3.3547	3.3547	3.3547	2.6111	2.6111	2.6111	4.5027	4.5027	4.5027	3.9777	3.9777	3.9777	4.7563	4.7563	4.7563	3.7045	3.7045	3.7045	2.4056	2.4056	2.4056	5.4488	5.4488	5.4488	4.6632	4.6632	4.6632	5.8192	5.8192	5.8192
C3	1.5326	2.1145		2.5543	2.5543	1.4000	3.4981	2.9714	1.4026	3.2806	3.7960	2.4317	4.6938	4.3453	2.4349	4.5342	4.9456	2.8178	5.1246	5.1728	2.1546	3.6476	2.6406	2.1549	3.2522	4.1118	3.4112	5.5317	4.9758	3.4152	5.2888	5.8915	3.9046	6.1748	6.2288
C4	1.5326	2.1145	2.5543		2.5543	2.9714	1.4000	3.4981	3.7960	1.4026	3.2806	4.3453	2.4317	4.6938	4.9456	2.4349	4.5342	5.1728	2.8178	5.1246	2.6406	2.1546	3.6476	4.1118	2.1549	3.2522	4.9758	3.4112	5.5317	5.8915	3.4152	5.2888	6.2288	3.9046	6.1748
C5	1.5326	2.1145	2.5543	2.5543		3.4981	2.9714	1.4000	3.2806	3.7960	1.4026	4.6938	4.3453	2.4317	4.5342	4.9456	2.4349	5.1246	5.1728	2.8178	3.6476	2.6406	2.1546	3.2522	4.1118	2.1549	5.5317	4.9758	3.4112	5.2888	5.8915	3.4152	6.1748	6.2288	3.9046
C6	2.5742	3.3547	1.4000	2.9714	3.4981		3.5496	3.5496	2.4066	3.6258	4.8461	1.3973	4.5353	4.9016	2.7869	4.5972	5.9092	2.4222	4.9898	5.9370	1.0859	3.6888	2.8560	3.3933	3.8020	5.2464	2.1524	5.2582	5.3247	3.8739	5.3533	6.9129	3.4081	5.9462	6.9544
C7	2.5742	3.3547	3.4981	1.4000	2.9714	3.5496		3.5496	4.8461	2.4066	3.6258	4.9016	1.3973	4.5353	5.9092	2.7869	4.5972	5.9370	2.4222	4.9898	2.8560	1.0859	3.6888	5.2464	3.3933	3.8020	5.3247	2.1524	5.2582	6.9129	3.8739	5.3533	6.9544	3.4081	5.9462
C8	2.5742	3.3547	2.9714	3.4981	1.4000	3.5496	3.5496		3.6258	4.8461	2.4066	4.5353	4.9016	1.3973	4.5972	5.9092	2.7869	4.9898	5.9370	2.4222	3.6888	2.8560	1.0859	3.8020	5.2464	3.3933	5.2582	5.3247	2.1524	5.3533	6.9129	3.8739	5.9462	6.9544	3.4081
C9	2.5295	2.6111	1.4026	3.7960	3.2806	2.4066	4.8461	3.6258		4.3371	4.3371	2.7804	6.0588	4.8427	1.3939	5.6590	5.3947	2.4177	6.4080	5.6115	3.3939	4.9497	3.3347	1.0881	4.0047	4.6102	3.8674	6.9177	5.4204	2.1516	6.2846	6.2819	3.4039	7.4564	6.6113
C10	2.5295	2.6111	3.2806	1.4026	3.7960	3.6258	2.4066	4.8461	4.3371		4.3371	4.8427	2.7804	6.0588	5.3947	1.3939	5.6590	5.6115	2.4177	6.4080	3.3347	3.3939	4.9497	4.6102	1.0881	4.0047	5.4204	3.8674	6.9177	6.2819	2.1516	6.2846	6.6113	3.4039	7.4564
C11	2.5295	2.6111	3.7960	3.2806	1.4026	4.8461	3.6258	2.4066	4.3371	4.3371		6.0588	4.8427	2.7804	5.6590	5.3947	1.3939	6.4080	5.6115	2.4177	4.9497	3.3347	3.3939	4.0047	4.6102	1.0881	6.9177	5.4204	3.8674	6.2846	6.2819	2.1516	7.4564	6.6113	3.4039
C12	3.8548	4.5027	2.4317	4.3453	4.6938	1.3973	4.9016	4.5353	2.7804	4.8427	6.0588		5.7933	5.7933	2.4104	5.7454	7.0505	1.3946	6.1745	6.9424	2.1521	4.9909	3.6669	3.8685	4.8685	6.4967	1.0871	6.4573	6.0351	3.3984	6.3806	8.0767	2.1578	7.0582	7.9071
C13	3.8548	4.5027	4.6938	2.4317	4.3453	4.5353	1.3973	4.9016	6.0588	2.7804	4.8427	5.7933		5.7933	7.0505	2.4104	5.7454	6.9424	1.3946	6.1745	3.6669	2.1521	4.9909	6.4967	3.8685	4.8685	6.0351	1.0871	6.4573	8.0767	3.3984	6.3806	7.9071	2.1578	7.0582
C14	3.8548	4.5027	4.3453	4.6938	2.4317	4.9016	4.5353	1.3973	4.8427	6.0588	2.7804	5.7933	5.7933		5.7454	7.0505	2.4104	6.1745	6.9424	1.3946	4.9909	3.6669	2.1521	4.8685	6.4967	3.8685	6.4573	6.0351	1.0871	6.3806	8.0767	3.3984	7.0582	7.9071	2.1578
C15	3.8248	3.9777	2.4349	4.9456	4.5342	2.7869	5.9092	4.5972	1.3939	5.3947	5.6590	2.4104	7.0505	5.7454		6.6247	6.6247	1.3969	7.3679	6.6668	3.8726	5.9847	4.0543	2.1512	5.0263	5.9927	3.3984	7.8688	6.1225	1.0870	7.1783	7.5426	2.1593	8.3699	7.6079
C16	3.8248	3.9777	4.5342	2.4349	4.9456	4.5972	2.7869	5.9092	5.6590	1.3939	5.3947	5.7454	2.4104	7.0505	6.6247		6.6247	6.6668	1.3969	7.3679	4.0543	3.8726	5.9847	5.9927	2.1512	5.0263	6.1225	3.3984	7.8688	7.5426	1.0870	7.1783	7.6079	2.1593	8.3699
C17	3.8248	3.9777	4.9456	4.5342	2.4349	5.9092	4.5972	2.7869	5.3947	5.6590	1.3939	7.0505	5.7454	2.4104	6.6247	6.6247		7.3679	6.6668	1.3969	5.9847	4.0543	3.8726	5.0263	5.9927	2.1512	7.8688	6.1225	3.3984	7.1783	7.5426	1.0870	8.3699	7.6079	2.1593
C18	4.3497	4.7563	2.8178	5.1728	5.1246	2.4222	5.9370	4.9898	2.4177	5.6115	6.4080	1.3946	6.9424	6.1745	1.3969	6.6668	7.3679		7.2720	7.2720	3.4021	6.0065	4.1996	3.4014	5.4004	6.8183	2.1557	7.6744	6.4073	2.1584	7.2254	8.3600	1.0868	8.1994	8.2081
C19	4.3497	4.7563	5.1246	2.8178	5.1728	4.9898	2.4222	5.9370	6.4080	2.4177	5.6115	6.1745	1.3946	6.9424	7.3679	1.3969	6.6668	7.2720		7.2720	4.1996	3.4021	6.0065	6.8183	3.4014	5.4004	6.4073	2.1557	7.6744	8.3600	2.1584	7.2254	8.2081	1.0868	8.1994
C20	4.3497	4.7563	5.1728	5.1246	2.8178	5.9370	4.9898	2.4222	5.6115	6.4080	2.4177	6.9424	6.1745	1.3946	6.6668	7.3679	1.3969	7.2720	7.2720		6.0065	4.1996	3.4021	5.4004	6.8183	3.4014	7.6744	6.4073	2.1557	7.2254	8.3600	2.1584	8.1994	8.2081	1.0868
H21	2.7864	3.7045	2.1546	2.6406	3.6476	1.0859	2.8560	3.6888	3.3939	3.3347	4.9497	2.1521	3.6669	4.9909	3.8726	4.0543	5.9847	3.4021	4.1996	6.0065		3.0399	3.0399	4.2945	3.7971	5.3462	2.4702	4.3063	5.4032	4.9596	4.8870	6.9755	4.2997	5.1000	7.0078
H22	2.7864	3.7045	3.6476	2.1546	2.6406	3.6888	1.0859	2.8560	4.9497	3.3939	3.3347	4.9909	2.1521	3.6669	5.9847	3.8726	4.0543	6.0065	3.4021	4.1996	3.0399		3.0399	5.3462	4.2945	3.7971	5.4032	2.4702	4.3063	6.9755	4.9596	4.8870	7.0078	4.2997	5.1000
H23	2.7864	3.7045	2.6406	3.6476	2.1546	2.8560	3.6888	1.0859	3.3347	4.9497	3.3939	3.6669	4.9909	2.1521	4.0543	5.9847	3.8726	4.1996	6.0065	3.4021	3.0399	3.0399		3.7971	5.3462	4.2945	4.3063	5.4032	2.4702	4.8870	6.9755	4.9596	5.1000	7.0078	4.2997
H24	2.7055	2.4056	2.1549	4.1118	3.2522	3.3933	5.2464	3.8020	1.0881	4.6102	4.0047	3.8685	6.4967	4.8685	2.1512	5.9927	5.0263	3.4014	6.8183	5.4004	4.2945	5.3462	3.7971		4.1587	4.1587	4.9555	7.3847	5.5519	2.4720	6.5805	5.7972	4.2997	7.8835	6.3684
H25	2.7055	2.4056	3.2522	2.1549	4.1118	3.8020	3.3933	5.2464	4.0047	1.0881	4.6102	4.8685	3.8685	6.4967	5.0263	2.1512	5.9927	5.4004	3.4014	6.8183	3.7971	4.2945	5.3462	4.1587		4.1587	5.5519	4.9555	7.3847	5.7972	2.4720	6.5805	6.3684	4.2997	7.8835
H26	2.7055	2.4056	4.1118	3.2522	2.1549	5.2464	3.8020	3.3933	4.6102	4.0047	1.0881	6.4967	4.8685	3.8685	5.9927	5.0263	2.1512	6.8183	5.4004	3.4014	5.3462	3.7971	4.2945	4.1587	4.1587		7.3847	5.5519	4.9555	6.5805	5.7972	2.4720	7.8835	6.3684	4.2997
H27	4.7248	5.4488	3.4112	4.9758	5.5317	2.1524	5.3247	5.2582	3.8674	5.4204	6.9177	1.0871	6.0351	6.4573	3.3984	6.1225	7.8688	2.1557	6.4073	7.6744	2.4702	5.4032	4.3063	4.9555	5.5519	7.3847		6.5855	6.5855	4.3011	6.7281	8.9135	2.4883	7.1844	8.6051
H28	4.7248	5.4488	5.5317	3.4112	4.9758	5.2582	2.1524	5.3247	6.9177	3.8674	5.4204	6.4573	1.0871	6.0351	7.8688	3.3984	6.1225	7.6744	2.1557	6.4073	4.3063	2.4702	5.4032	7.3847	4.9555	5.5519	6.5855		6.5855	8.9135	4.3011	6.7281	8.6051	2.4883	7.1844
H29	4.7248	5.4488	4.9758	5.5317	3.4112	5.3247	5.2582	2.1524	5.4204	6.9177	3.8674	6.0351	6.4573	1.0871	6.1225	7.8688	3.3984	6.4073	7.6744	2.1557	5.4032	4.3063	2.4702	5.5519	7.3847	4.9555	6.5855	6.5855		6.7281	8.9135	4.3011	7.1844	8.6051	2.4883
H30	4.6810	4.6632	3.4152	5.8915	5.2888	3.8739	6.9129	5.3533	2.1516	6.2819	6.2846	3.3984	8.0767	6.3806	1.0870	7.5426	7.1783	2.1584	8.3600	7.2254	4.9596	6.9755	4.8870	2.4720	5.7972	6.5805	4.3011	8.9135	6.7281		8.0352	8.0352	2.4906	9.3661	8.1096
H31	4.6810	4.6632	5.2888	3.4152	5.8915	5.3533	3.8739	6.9129	6.2846	2.1516	6.2819	6.3806	3.3984	8.0767	7.1783	1.0870	7.5426	7.2254	2.1584	8.3600	4.8870	4.9596	6.9755	6.5805	2.4720	5.7972	6.7281	4.3011	8.9135	8.0352		8.0352	8.1096	2.4906	9.3661
H32	4.6810	4.6632	5.8915	5.2888	3.4152	6.9129	5.3533	3.8739	6.2819	6.2846	2.1516	8.0767	6.3806	3.3984	7.5426	7.1783	1.0870	8.3600	7.2254	2.1584	6.9755	4.8870	4.9596	5.7972	6.5805	2.4720	8.9135	6.7281	4.3011	8.0352	8.0352		9.3661	8.1096	2.4906
H33	5.4364	5.8192	3.9046	6.2288	6.1748	3.4081	6.9544	5.9462	3.4039	6.6113	7.4564	2.1578	7.9071	7.0582	2.1593	7.6079	8.3699	1.0868	8.2081	8.1994	4.2997	7.0078	5.1000	4.2997	6.3684	7.8835	2.4883	8.6051	7.1844	2.4906	8.1096	9.3661		9.0925	9.0925
H34	5.4364	5.8192	6.1748	3.9046	6.2288	5.9462	3.4081	6.9544	7.4564	3.4039	6.6113	7.0582	2.1578	7.9071	8.3699	2.1593	7.6079	8.1994	1.0868	8.2081	5.1000	4.2997	7.0078	7.8835	4.2997	6.3684	7.1844	2.4883	8.6051	9.3661	2.4906	8.1096	9.0925		9.0925
H35	5.4364	5.8192	6.2288	6.1748	3.9046	6.9544	5.9462	3.4081	6.6113	7.4564	3.4039	7.9071	7.0582	2.1578	7.6079	8.3699	2.1593	8.2081	8.1994	1.0868	7.0078	5.1000	4.2997	6.3684	7.8835	4.2997	8.6051	7.1844	2.4883	8.1096	9.3661	2.4906	9.0925	9.0925

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.686	C1	C3	C9	118.969
C1	C4	C7	122.686	C1	C4	C10	118.969
C1	C5	C8	122.686	C1	C5	C11	118.969
H2	C1	C3	105.798	H2	C1	C4	105.798
H2	C1	C5	105.798	C3	C1	C4	112.881
C3	C1	C5	112.881	C3	C6	C12	120.747
C3	C6	H21	119.627	C3	C9	C15	121.074
C3	C9	H24	119.272	C4	C1	C5	112.881
C4	C7	C13	120.747	C4	C7	H22	119.627
C4	C10	C16	121.074	C4	C10	H25	119.272
C5	C8	C14	120.747	C5	C8	H23	119.627
C5	C11	C17	121.074	C5	C11	H26	119.272
C6	C3	C9	118.336	C6	C12	C18	120.350
C6	C12	H27	119.552	C7	C4	C10	118.336
C7	C13	C19	120.350	C7	C13	H28	119.552
C8	C5	C11	118.336	C8	C14	C20	120.350
C8	C14	H29	119.552	C9	C15	C18	120.070
C9	C15	H30	119.775	C10	C16	C19	120.070
C10	C16	H31	119.774	C11	C17	C20	120.070
C11	C17	H32	119.775	C12	C5	H21	26.272
C12	C18	C15	119.422	C12	C18	H33	120.314
C13	C7	H22	119.622	C13	C19	C16	119.422
C13	C19	H34	120.314	C14	C8	H23	119.622
C14	C20	C17	119.422	C14	C20	H35	120.314
C15	C9	H24	119.653	C15	C18	H33	120.263
C16	C10	H25	119.653	C16	C19	H34	120.263
C17	C11	H26	119.653	C17	C20	H35	120.263
C18	C12	H27	120.097	C18	C15	H30	120.155
C19	C13	H28	120.097	C19	C16	H31	120.155
C20	C14	H29	120.097	C20	C17	H32	120.155

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at B3LYPultrafine/6-31G* Charges (e)

Number	Element	Mulliken
1	C	-0.344
2	H	0.144
3	C	0.162
4	C	0.162
5	C	0.162
6	C	-0.185
7	C	-0.185
8	C	-0.185
9	C	-0.172
10	C	-0.172
11	C	-0.172
12	C	-0.133
13	C	-0.133
14	C	-0.133
15	C	-0.130
16	C	-0.130
17	C	-0.130
18	C	-0.129
19	C	-0.129
20	C	-0.129
21	H	0.141
22	H	0.141
23	H	0.141
24	H	0.127
25	H	0.127
26	H	0.127
27	H	0.129
28	H	0.129
29	H	0.129
30	H	0.129
31	H	0.129
32	H	0.129
33	H	0.128
34	H	0.128
35	H	0.128

Electric dipole moments
Electric dipole components in Debye
(What's a Debye? See section VII.A.3)

	x	y	z	Total
	0.000	0.000	0.068	0.068
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-105.254	0.000	0.000
y	0.000	-105.254	0.000
z	0.000	0.000	-103.805

Traceless
	x	y	z
x	-0.724	0.000	0.000
y	0.000	-0.724	0.000
z	0.000	0.000	1.449

Polar
3z²-r²	2.898
x²-y²	0.000
xy	0.000
xz	0.000
yz	0.000

Polarizabilities
Components of the polarizability tensor.
Units are Å³ (Angstrom cubed)
Change units.

	x	y	z
x	29.591	-0.000	0.000
y	-0.000	29.591	0.000
z	0.000	0.000	23.234

<r²> (average value of r²) Å²

<r²>	1409.864
(<r²>)^1/2	37.548

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C19H16 (Triphenylmethane)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)