CCCBDB calculation results Page

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

Energy calculated at B1B95/6-31G**

	hartrees
Energy at 0K	-733.316805
Energy at 298.15K
HF Energy	-733.316805
Nuclear repulsion energy	1286.851175

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 B1B95/6-31G**

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3241	3095	3.54
2	A	3231	3085	35.90
3	A	3223	3078	20.68
4	A	3214	3068	0.03
5	A	3204	3059	7.02
6	A	3051	2913	10.42
7	A	1702	1625	0.00
8	A	1676	1600	2.82
9	A	1561	1490	1.19
10	A	1510	1441	11.90
11	A	1390	1327	0.16
12	A	1356	1294	2.21
13	A	1220	1165	0.35
14	A	1207	1153	0.01
15	A	1194	1140	0.05
16	A	1130	1079	11.19
17	A	1076	1028	0.08
18	A	1023	977	0.05
19	A	1006	961	0.03
20	A	982	938	0.02
21	A	942	899	1.03
22	A	869	830	0.00
23	A	840	802	3.44
24	A	750	716	25.91
25	A	719	686	19.80
26	A	674	644	3.18
27	A	631	602	0.47
28	A	477	456	2.13
29	A	416	397	0.01
30	A	273	261	0.04
31	A	227	216	0.41
32	A	115	110	0.28
33	A	45	43	0.00
34	E	3241	3094	33.32
34	E	3241	3094	33.09
35	E	3231	3085	22.20
35	E	3231	3085	21.92
36	E	3223	3077	7.77
36	E	3223	3077	7.64
37	E	3213	3068	0.05
37	E	3213	3068	0.04
38	E	3204	3059	6.65
38	E	3204	3059	6.65
39	E	1697	1620	11.02
39	E	1697	1620	11.04
40	E	1680	1604	0.45
40	E	1680	1604	0.46
41	E	1561	1491	21.70
41	E	1561	1491	21.67
42	E	1516	1448	5.69
42	E	1516	1448	5.73
43	E	1401	1338	1.88
43	E	1401	1338	1.86
44	E	1374	1312	0.07
44	E	1374	1312	0.06
45	E	1304	1246	2.95
45	E	1304	1245	2.92
46	E	1233	1177	0.98
46	E	1233	1177	0.98
47	E	1219	1163	1.61
47	E	1219	1163	1.59
48	E	1194	1140	0.02
48	E	1194	1140	0.02
49	E	1126	1075	0.53
49	E	1126	1075	0.53
50	E	1079	1030	6.16
50	E	1079	1030	6.18
51	E	1023	977	2.12
51	E	1023	977	2.13
52	E	1005	960	0.06
52	E	1005	960	0.06
53	E	981	936	0.02
53	E	981	936	0.02
54	E	941	899	1.92
54	E	941	899	1.90
55	E	890	850	0.92
55	E	890	850	0.88
56	E	867	828	0.01
56	E	867	828	0.01
57	E	775	740	21.43
57	E	775	740	21.44
58	E	718	686	31.52
58	E	718	686	31.50
59	E	635	607	2.71
59	E	635	607	2.71
60	E	616	589	13.63
60	E	616	589	13.60
61	E	505	482	2.77
61	E	505	482	2.77
62	E	413	395	0.21
62	E	413	395	0.21
63	E	312	298	0.45
63	E	312	298	0.45
64	E	239	228	0.66
64	E	239	228	0.66
65	E	75	72	0.12
65	E	75	72	0.12
66	E	39	37	0.04
66	E	39	37	0.04

Unscaled Zero Point Vibrational Energy (zpe) 64614.9 cm^-1
Scaled (by 0.9548) Zero Point Vibrational Energy (zpe) 61694.3 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 B1B95/6-31G**

A	B	C
0.01304	0.01304	0.00759

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

Geometric Data calculated at B1B95/6-31G**

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.726
H2	0.000	0.000	1.823
C3	0.000	1.463	0.315
C4	1.267	-0.732	0.315
C5	-1.267	-0.732	0.315
C6	0.696	1.944	-0.791
C7	1.336	-1.575	-0.791
C8	-2.032	-0.369	-0.791
C9	-0.764	2.360	1.064
C10	2.426	-0.518	1.064
C11	-1.662	-1.842	1.064
C12	0.627	3.290	-1.139
C13	2.536	-2.188	-1.139
C14	-3.163	-1.102	-1.139
C15	-0.832	3.702	0.722
C16	3.622	-1.130	0.722
C17	-2.790	-2.572	0.722
C18	-0.135	4.173	-0.385
C19	3.681	-1.970	-0.385
C20	-3.546	-2.203	-0.385
H21	1.304	1.264	-1.377
H22	0.443	-1.762	-1.377
H23	-1.747	0.498	-1.377
H24	-1.315	1.994	1.926
H25	2.385	0.142	1.926
H26	-1.070	-2.136	1.926
H27	1.178	3.648	-2.002
H28	2.570	-2.844	-2.002
H29	-3.749	-0.804	-2.002
H30	-1.428	4.383	1.321
H31	4.509	-0.955	1.321
H32	-3.081	-3.428	1.321
H33	-0.183	5.222	-0.656
H34	4.613	-2.453	-0.656
H35	-4.431	-2.769	-0.656

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		1.0967	1.5200	1.5200	1.5200	2.5626	2.5626	2.5626	2.5035	2.5035	2.5035	3.8337	3.8337	3.8337	3.7944	3.7944	3.7944	4.3202	4.3202	4.3202	2.7792	2.7792	2.7792	2.6732	2.6732	2.6732	4.7055	4.7055	4.7055	4.6475	4.6475	4.6475	5.4046	5.4046	5.4046
H2	1.0967		2.1011	2.1011	2.1011	3.3313	3.3313	3.3313	2.5941	2.5941	2.5941	4.4711	4.4711	4.4711	3.9509	3.9509	3.9509	4.7228	4.7228	4.7228	3.6798	3.6798	3.6798	2.3912	2.3912	2.3912	5.4156	5.4156	5.4156	4.6366	4.6366	4.6366	5.7831	5.7831	5.7831
C3	1.5200	2.1011		2.5347	2.5347	1.3926	3.4986	2.9515	1.3959	3.2207	3.7744	2.4176	4.6775	4.3242	2.4227	4.4734	4.9226	2.8016	5.0819	5.1487	2.1461	3.6690	2.6171	2.1459	3.1666	4.0859	3.3958	5.5258	4.9560	3.4017	5.2147	5.8678	3.8861	6.1288	6.2039
C4	1.5200	2.1011	2.5347		2.5347	2.9515	1.3926	3.4986	3.7744	1.3959	3.2207	4.3242	2.4176	4.6775	4.9226	2.4227	4.4734	5.1487	2.8016	5.0819	2.6171	2.1461	3.6690	4.0859	2.1459	3.1666	4.9560	3.3958	5.5258	5.8678	3.4017	5.2147	6.2039	3.8861	6.1288
C5	1.5200	2.1011	2.5347	2.5347		3.4986	2.9515	1.3926	3.2207	3.7744	1.3959	4.6775	4.3242	2.4176	4.4734	4.9226	2.4227	5.0819	5.1487	2.8016	3.6690	2.6171	2.1461	3.1666	4.0859	2.1459	5.5258	4.9560	3.3958	5.2147	5.8678	3.4017	6.1288	6.2039	3.8861
C6	2.5626	3.3313	1.3926	2.9515	3.4986		3.5771	3.5771	2.3970	3.5352	4.8307	1.3917	4.5371	4.9288	2.7774	4.5059	5.9023	2.4125	4.9389	5.9467	1.0847	3.7607	2.8993	3.3804	3.6716	5.2104	2.1453	5.2833	5.3642	3.8621	5.2350	6.8986	3.3958	5.8905	6.9656
C7	2.5626	3.3313	3.4986	1.3926	2.9515	3.5771		3.5771	4.8307	2.3970	3.5352	4.9288	1.3917	4.5371	5.9023	2.7774	4.5059	5.9467	2.4125	4.9389	2.8993	1.0847	3.7607	5.2104	3.3804	3.6716	5.3642	2.1453	5.2833	6.8986	3.8621	5.2350	6.9656	3.3958	5.8905
C8	2.5626	3.3313	2.9515	3.4986	1.3926	3.5771	3.5771		3.5352	4.8307	2.3970	4.5371	4.9288	1.3917	4.5059	5.9023	2.7774	4.9389	5.9467	2.4125	3.7607	2.8993	1.0847	3.6716	5.2104	3.3804	5.2833	5.3642	2.1453	5.2350	6.8986	3.8621	5.8905	6.9656	3.3958
C9	2.5035	2.5941	1.3959	3.7744	3.2207	2.3970	4.8307	3.5352		4.2965	4.2965	2.7666	6.0356	4.7531	1.3866	5.6158	5.3427	2.4046	6.3721	5.5374	3.3822	4.9401	3.2242	1.0861	3.9469	4.5882	3.8513	6.8997	5.3215	2.1441	6.2339	6.2399	3.3890	7.4187	6.5353
C10	2.5035	2.5941	3.2207	1.3959	3.7744	3.5352	2.3970	4.8307	4.2965		4.2965	4.7531	2.7666	6.0356	5.3427	1.3866	5.6158	5.5374	2.4046	6.3721	3.2242	3.3822	4.9401	4.5882	1.0861	3.9469	5.3215	3.8513	6.8997	6.2399	2.1441	6.2339	6.5353	3.3890	7.4187
C11	2.5035	2.5941	3.7744	3.2207	1.3959	4.8307	3.5352	2.3970	4.2965	4.2965		6.0356	4.7531	2.7666	5.6158	5.3427	1.3866	6.3721	5.5374	2.4046	4.9401	3.2242	3.3822	3.9469	4.5882	1.0861	6.8997	5.3215	3.8513	6.2339	6.2399	2.1441	7.4187	6.5353	3.3890
C12	3.8337	4.4711	2.4176	4.3242	4.6775	1.3917	4.9288	4.5371	2.7666	4.7531	6.0356		5.8014	5.8014	2.4006	5.6542	7.0358	1.3883	6.1284	6.9399	2.1494	5.0608	3.6733	3.8527	4.7320	6.4588	1.0848	6.4926	6.0543	3.3864	6.2561	8.0584	2.1495	7.0073	7.9077
C13	3.8337	4.4711	4.6775	2.4176	4.3242	4.5371	1.3917	4.9288	6.0356	2.7666	4.7531	5.8014		5.8014	7.0358	2.4006	5.6542	6.9399	1.3883	6.1284	3.6733	2.1494	5.0608	6.4588	3.8527	4.7320	6.0543	1.0848	6.4926	8.0584	3.3864	6.2561	7.9077	2.1495	7.0073
C14	3.8337	4.4711	4.3242	4.6775	2.4176	4.9288	4.5371	1.3917	4.7531	6.0356	2.7666	5.8014	5.8014		5.6542	7.0358	2.4006	6.1284	6.9399	1.3883	5.0608	3.6733	2.1494	4.7320	6.4588	3.8527	6.4926	6.0543	1.0848	6.2561	8.0584	3.3864	7.0073	7.9077	2.1495
C15	3.7944	3.9509	2.4227	4.9226	4.4734	2.7774	5.9023	4.5059	1.3866	5.3427	5.6158	2.4006	7.0358	5.6542		6.5721	6.5721	1.3907	7.3323	6.5924	3.8620	5.9903	3.9384	2.1442	4.9472	5.9656	3.3860	7.8648	6.0188	1.0847	7.1118	7.5001	2.1517	8.3328	7.5313
C16	3.7944	3.9509	4.4734	2.4227	4.9226	4.5059	2.7774	5.9023	5.6158	1.3866	5.3427	5.6542	2.4006	7.0358	6.5721		6.5721	6.5924	1.3907	7.3323	3.9384	3.8620	5.9903	5.9656	2.1442	4.9472	6.0188	3.3860	7.8648	7.5001	1.0847	7.1118	7.5313	2.1517	8.3328
C17	3.7944	3.9509	4.9226	4.4734	2.4227	5.9023	4.5059	2.7774	5.3427	5.6158	1.3866	7.0358	5.6542	2.4006	6.5721	6.5721		7.3323	6.5924	1.3907	5.9903	3.9384	3.8620	4.9472	5.9656	2.1442	7.8648	6.0188	3.3860	7.1118	7.5001	1.0847	8.3328	7.5313	2.1517
C18	4.3202	4.7228	2.8016	5.1487	5.0819	2.4125	5.9467	4.9389	2.4046	5.5374	6.3721	1.3883	6.9399	6.1284	1.3907	6.5924	7.3323		7.2309	7.2309	3.3933	6.0443	4.1339	3.3879	5.2855	6.7834	2.1477	7.6923	6.3591	2.1511	7.1252	8.3283	1.0845	8.1556	8.1679
C19	4.3202	4.7228	5.0819	2.8016	5.1487	4.9389	2.4125	5.9467	6.3721	2.4046	5.5374	6.1284	1.3883	6.9399	7.3323	1.3907	6.5924	7.2309		7.2309	4.1339	3.3933	6.0443	6.7834	3.3879	5.2855	6.3591	2.1477	7.6923	8.3283	2.1511	7.1252	8.1679	1.0845	8.1556
C20	4.3202	4.7228	5.1487	5.0819	2.8016	5.9467	4.9389	2.4125	5.5374	6.3721	2.4046	6.9399	6.1284	1.3883	6.5924	7.3323	1.3907	7.2309	7.2309		6.0443	4.1339	3.3933	5.2855	6.7834	3.3879	7.6923	6.3591	2.1477	7.1252	8.3283	2.1511	8.1556	8.1679	1.0845
H21	2.7792	3.6798	2.1461	2.6171	3.6690	1.0847	2.8993	3.7607	3.3822	3.2242	4.9401	2.1494	3.6733	5.0608	3.8620	3.9384	5.9903	3.3933	4.1339	6.0443		3.1461	3.1461	4.2783	3.6519	5.3016	2.4678	4.3444	5.4953	4.9467	4.7408	6.9664	4.2888	5.0285	7.0483
H22	2.7792	3.6798	3.6690	2.1461	2.6171	3.7607	1.0847	2.8993	4.9401	3.3822	3.2242	5.0608	2.1494	3.6733	5.9903	3.8620	3.9384	6.0443	3.3933	4.1339	3.1461		3.1461	5.3016	4.2783	3.6519	5.4953	2.4678	4.3444	6.9664	4.9467	4.7408	7.0483	4.2888	5.0285
H23	2.7792	3.6798	2.6171	3.6690	2.1461	2.8993	3.7607	1.0847	3.2242	4.9401	3.3822	3.6733	5.0608	2.1494	3.9384	5.9903	3.8620	4.1339	6.0443	3.3933	3.1461	3.1461		3.6519	5.3016	4.2783	4.3444	5.4953	2.4678	4.7408	6.9664	4.9467	5.0285	7.0483	4.2888
H24	2.6732	2.3912	2.1459	4.0859	3.1666	3.3804	5.2104	3.6716	1.0861	4.5882	3.9469	3.8527	6.4588	4.7320	2.1442	5.9656	4.9472	3.3879	6.7834	5.2855	4.2783	5.3016	3.6519		4.1379	4.1379	4.9374	7.3443	5.4017	2.4661	6.5565	5.7347	4.2851	7.8479	6.2500
H25	2.6732	2.3912	3.1666	2.1459	4.0859	3.6716	3.3804	5.2104	3.9469	1.0861	4.5882	4.7320	3.8527	6.4588	4.9472	2.1442	5.9656	5.2855	3.3879	6.7834	3.6519	4.2783	5.3016	4.1379		4.1379	5.4017	4.9374	7.3443	5.7347	2.4661	6.5565	6.2500	4.2851	7.8479
H26	2.6732	2.3912	4.0859	3.1666	2.1459	5.2104	3.6716	3.3804	4.5882	3.9469	1.0861	6.4588	4.7320	3.8527	5.9656	4.9472	2.1442	6.7834	5.2855	3.3879	5.3016	3.6519	4.2783	4.1379	4.1379		7.3443	5.4017	4.9374	6.5565	5.7347	2.4661	7.8479	6.2500	4.2851
H27	4.7055	5.4156	3.3958	4.9560	5.5258	2.1453	5.3642	5.2833	3.8513	5.3215	6.8997	1.0848	6.0543	6.4926	3.3860	6.0188	7.8648	2.1477	6.3591	7.6923	2.4678	5.4953	4.3444	4.9374	5.4017	7.3443		6.6403	6.6403	4.2863	6.5822	8.9027	2.4778	7.1299	8.6287
H28	4.7055	5.4156	5.5258	3.3958	4.9560	5.2833	2.1453	5.3642	6.8997	3.8513	5.3215	6.4926	1.0848	6.0543	7.8648	3.3860	6.0188	7.6923	2.1477	6.3591	4.3444	2.4678	5.4953	7.3443	4.9374	5.4017	6.6403		6.6403	8.9027	4.2863	6.5822	8.6287	2.4778	7.1299
H29	4.7055	5.4156	4.9560	5.5258	3.3958	5.3642	5.2833	2.1453	5.3215	6.8997	3.8513	6.0543	6.4926	1.0848	6.0188	7.8648	3.3860	6.3591	7.6923	2.1477	5.4953	4.3444	2.4678	5.4017	7.3443	4.9374	6.6403	6.6403		6.5822	8.9027	4.2863	7.1299	8.6287	2.4778
H30	4.6475	4.6366	3.4017	5.8678	5.2147	3.8621	6.8986	5.2350	2.1441	6.2399	6.2339	3.3864	8.0584	6.2561	1.0847	7.5001	7.1118	2.1511	8.3283	7.1252	4.9467	6.9664	4.7408	2.4661	5.7347	6.5565	4.2863	8.9027	6.5822		7.9836	7.9836	2.4824	9.3341	8.0044
H31	4.6475	4.6366	5.2147	3.4017	5.8678	5.2350	3.8621	6.8986	6.2339	2.1441	6.2399	6.2561	3.3864	8.0584	7.1118	1.0847	7.5001	7.1252	2.1511	8.3283	4.7408	4.9467	6.9664	6.5565	2.4661	5.7347	6.5822	4.2863	8.9027	7.9836		7.9836	8.0044	2.4824	9.3341
H32	4.6475	4.6366	5.8678	5.2147	3.4017	6.8986	5.2350	3.8621	6.2399	6.2339	2.1441	8.0584	6.2561	3.3864	7.5001	7.1118	1.0847	8.3283	7.1252	2.1511	6.9664	4.7408	4.9467	5.7347	6.5565	2.4661	8.9027	6.5822	4.2863	7.9836	7.9836		9.3341	8.0044	2.4824
H33	5.4046	5.7831	3.8861	6.2039	6.1288	3.3958	6.9656	5.8905	3.3890	6.5353	7.4187	2.1495	7.9077	7.0073	2.1517	7.5313	8.3328	1.0845	8.1679	8.1556	4.2888	7.0483	5.0285	4.2851	6.2500	7.8479	2.4778	8.6287	7.1299	2.4824	8.0044	9.3341		9.0498	9.0498
H34	5.4046	5.7831	6.1288	3.8861	6.2039	5.8905	3.3958	6.9656	7.4187	3.3890	6.5353	7.0073	2.1495	7.9077	8.3328	2.1517	7.5313	8.1556	1.0845	8.1679	5.0285	4.2888	7.0483	7.8479	4.2851	6.2500	7.1299	2.4778	8.6287	9.3341	2.4824	8.0044	9.0498		9.0498
H35	5.4046	5.7831	6.2039	6.1288	3.8861	6.9656	5.8905	3.3958	6.5353	7.4187	3.3890	7.9077	7.0073	2.1495	7.5313	8.3328	2.1517	8.1679	8.1556	1.0845	7.0483	5.0285	4.2888	6.2500	7.8479	4.2851	8.6287	7.1299	2.4778	8.0044	9.3341	2.4824	9.0498	9.0498

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	123.182	C1	C3	C9	118.251
C1	C4	C7	123.182	C1	C4	C10	118.251
C1	C5	C8	123.182	C1	C5	C11	118.251
H2	C1	C3	105.688	H2	C1	C4	105.688
H2	C1	C5	105.688	C3	C1	C4	112.975
C3	C1	C5	112.975	C3	C6	C12	120.521
C3	C6	H21	119.543	C3	C9	C15	121.080
C3	C9	H24	119.148	C4	C1	C5	112.975
C4	C7	C13	120.521	C4	C7	H22	119.543
C4	C10	C16	121.080	C4	C10	H25	119.148
C5	C8	C14	120.521	C5	C8	H23	119.543
C5	C11	C17	121.080	C5	C11	H26	119.148
C6	C3	C9	118.545	C6	C12	C18	120.402
C6	C12	H27	119.543	C7	C4	C10	118.545
C7	C13	C19	120.402	C7	C13	H28	119.543
C8	C5	C11	118.545	C8	C14	C20	120.402
C8	C14	H29	119.543	C9	C15	C18	119.954
C9	C15	H30	119.869	C10	C16	C19	119.954
C10	C16	H31	119.869	C11	C17	C20	119.954
C11	C17	H32	119.869	C12	C5	H21	26.487
C12	C18	C15	119.498	C12	C18	H33	120.244
C13	C7	H22	119.932	C13	C19	C16	119.498
C13	C19	H34	120.244	C14	C8	H23	119.932
C14	C20	C17	119.498	C14	C20	H35	120.244
C15	C9	H24	119.771	C15	C18	H33	120.258
C16	C10	H25	119.771	C16	C19	H34	120.258
C17	C11	H26	119.771	C17	C20	H35	120.258
C18	C12	H27	120.054	C18	C15	H30	120.177
C19	C13	H28	120.054	C19	C16	H31	120.177
C20	C14	H29	120.054	C20	C17	H32	120.177

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at B1B95/6-31G** Charges (e)

Number	Element	Mulliken
1	C	-0.354
2	H	0.174
3	C	0.112
4	C	0.112
5	C	0.112
6	C	-0.191
7	C	-0.191
8	C	-0.191
9	C	-0.178
10	C	-0.178
11	C	-0.178
12	C	-0.164
13	C	-0.164
14	C	-0.164
15	C	-0.160
16	C	-0.160
17	C	-0.160
18	C	-0.155
19	C	-0.155
20	C	-0.155
21	H	0.170
22	H	0.170
23	H	0.170
24	H	0.156
25	H	0.156
26	H	0.156
27	H	0.157
28	H	0.157
29	H	0.157
30	H	0.157
31	H	0.157
32	H	0.157
33	H	0.156
34	H	0.156
35	H	0.156

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	0.051	0.051
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-103.818	0.000	0.000
y	0.000	-103.818	0.000
z	0.000	0.000	-103.494

Traceless
	x	y	z
x	-0.162	0.000	0.000
y	0.000	-0.162	0.000
z	0.000	0.000	0.324

Polar
3z²-r²	0.649
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	29.554	0.007	0.001
y	0.007	29.564	0.001
z	0.001	0.001	22.361

<r²> (average value of r²) Å²

<r²>	1393.095
(<r²>)^1/2	37.324

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: B1B95/6-31G**

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: B1B95/6-31G**

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)