CCCBDB calculation results Page

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

Energy calculated at wB97X-D/6-311G**

	hartrees
Energy at 0K	-733.581114
Energy at 298.15K
HF Energy	-733.581114
Nuclear repulsion energy	1288.589437

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 wB97X-D/6-311G**

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3074	5.57
2	A	3204	3065	22.20
3	A	3196	3057	24.90
4	A	3186	3047	0.46
5	A	3177	3038	4.50
6	A	3052	2920	9.34
7	A	1687	1614	0.00
8	A	1659	1587	2.95
9	A	1543	1476	1.53
10	A	1493	1428	12.85
11	A	1361	1302	1.56
12	A	1325	1268	0.36
13	A	1215	1162	0.58
14	A	1202	1150	0.08
15	A	1187	1135	0.00
16	A	1119	1071	13.21
17	A	1064	1018	0.26
18	A	1028	983	0.05
19	A	1019	975	0.01
20	A	1001	958	0.08
21	A	953	911	1.28
22	A	871	833	0.02
23	A	846	809	3.14
24	A	754	721	21.31
25	A	723	691	42.95
26	A	679	650	7.23
27	A	639	611	0.83
28	A	482	461	4.13
29	A	421	403	0.03
30	A	275	263	0.09
31	A	224	214	0.42
32	A	91	87	0.33
33	A	48	45	0.00
34	E	3213	3073	25.49
34	E	3213	3073	25.44
35	E	3204	3065	21.59
35	E	3204	3065	21.57
36	E	3196	3057	8.45
36	E	3196	3057	8.42
37	E	3186	3047	0.48
37	E	3186	3047	0.47
38	E	3176	3038	5.41
38	E	3176	3038	5.35
39	E	1682	1609	12.49
39	E	1682	1609	12.48
40	E	1664	1591	0.37
40	E	1664	1591	0.38
41	E	1544	1477	25.17
41	E	1544	1477	25.21
42	E	1501	1435	6.83
42	E	1501	1435	6.79
43	E	1371	1312	0.03
43	E	1371	1312	0.04
44	E	1353	1294	2.04
44	E	1353	1294	2.03
45	E	1295	1239	2.46
45	E	1295	1239	2.44
46	E	1224	1170	0.65
46	E	1224	1170	0.64
47	E	1212	1159	1.58
47	E	1212	1159	1.55
48	E	1187	1136	0.02
48	E	1187	1136	0.02
49	E	1116	1068	0.93
49	E	1116	1068	0.93
50	E	1067	1020	9.40
50	E	1067	1020	9.42
51	E	1028	983	1.31
51	E	1028	983	1.31
52	E	1019	974	0.03
52	E	1019	974	0.03
53	E	1000	957	0.09
53	E	1000	957	0.09
54	E	950	908	2.19
54	E	950	908	2.18
55	E	890	851	1.09
55	E	890	851	1.11
56	E	868	830	0.06
56	E	868	830	0.06
57	E	780	746	18.80
57	E	780	746	18.81
58	E	722	691	46.76
58	E	722	691	46.79
59	E	643	615	3.06
59	E	643	615	3.03
60	E	626	599	14.18
60	E	626	599	14.15
61	E	510	488	4.90
61	E	510	488	4.91
62	E	417	399	0.17
62	E	417	399	0.17
63	E	308	294	0.56
63	E	308	294	0.55
64	E	237	227	0.53
64	E	237	227	0.54
65	E	66	63	0.19
65	E	66	63	0.19
66	E	28	27	0.04
66	E	28	27	0.04

Unscaled Zero Point Vibrational Energy (zpe) 64248.2 cm^-1
Scaled (by 0.9565) Zero Point Vibrational Energy (zpe) 61453.4 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 wB97X-D/6-311G**

A	B	C
0.01312	0.01312	0.00762

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

Geometric Data calculated at wB97X-D/6-311G**

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.767
H2	0.000	0.000	1.863
C3	0.000	1.463	0.342
C4	1.267	-0.731	0.342
C5	-1.267	-0.731	0.342
C6	0.724	1.928	-0.752
C7	1.308	-1.591	-0.752
C8	-2.032	-0.337	-0.752
C9	-0.790	2.366	1.054
C10	2.444	-0.498	1.054
C11	-1.654	-1.868	1.054
C12	0.654	3.266	-1.129
C13	2.501	-2.199	-1.129
C14	-3.155	-1.067	-1.129
C15	-0.860	3.700	0.683
C16	3.635	-1.106	0.683
C17	-2.775	-2.595	0.683
C18	-0.137	4.155	-0.415
C19	3.667	-1.959	-0.415
C20	-3.530	-2.196	-0.415
H21	1.352	1.243	-1.310
H22	0.401	-1.793	-1.310
H23	-1.753	0.549	-1.310
H24	-1.364	2.012	1.905
H25	2.425	0.175	1.905
H26	-1.061	-2.188	1.905
H27	1.225	3.611	-1.984
H28	2.515	-2.866	-1.984
H29	-3.740	-0.745	-1.984
H30	-1.478	4.388	1.250
H31	4.539	-0.914	1.250
H32	-3.061	-3.474	1.250
H33	-0.187	5.198	-0.708
H34	4.595	-2.437	-0.708
H35	-4.408	-2.761	-0.708

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		1.0963	1.5233	1.5233	1.5233	2.5590	2.5590	2.5590	2.5112	2.5112	2.5112	3.8324	3.8324	3.8324	3.8000	3.8000	3.8000	4.3222	4.3222	4.3222	2.7728	2.7728	2.7728	2.6847	2.6847	2.6847	4.7020	4.7020	4.7020	4.6549	4.6549	4.6549	5.4063	5.4063	5.4063
H2	1.0963		2.1102	2.1102	2.1102	3.3288	3.3288	3.3288	2.6226	2.6226	2.6226	4.4773	4.4773	4.4773	3.9782	3.9782	3.9782	4.7407	4.7407	4.7407	3.6667	3.6667	3.6667	2.4317	2.4317	2.4317	5.4168	5.4168	5.4168	4.6702	4.6702	4.6702	5.8019	5.8019	5.8019
C3	1.5233	2.1102		2.5339	2.5339	1.3921	3.4977	2.9269	1.3954	3.2139	3.7862	2.4172	4.6725	4.3034	2.4210	4.4636	4.9276	2.8001	5.0726	5.1404	2.1466	3.6730	2.5765	2.1463	3.1593	4.1105	3.3952	5.5209	4.9270	3.4001	5.2031	5.8790	3.8843	6.1179	6.1946
C4	1.5233	2.1102	2.5339		2.5339	2.9269	1.3921	3.4977	3.7862	1.3954	3.2139	4.3034	2.4172	4.6725	4.9276	2.4210	4.4636	5.1404	2.8001	5.0726	2.5765	2.1466	3.6730	4.1105	2.1463	3.1593	4.9270	3.3952	5.5209	5.8790	3.4001	5.2031	6.1946	3.8843	6.1179
C5	1.5233	2.1102	2.5339	2.5339		3.4977	2.9269	1.3921	3.2139	3.7862	1.3954	4.6725	4.3034	2.4172	4.4636	4.9276	2.4210	5.0726	5.1404	2.8001	3.6730	2.5765	2.1466	3.1593	4.1105	2.1463	5.5209	4.9270	3.3952	5.2031	5.8790	3.4001	6.1179	6.1946	3.8843
C6	2.5590	3.3288	1.3921	2.9269	3.4977		3.5670	3.5670	2.3973	3.4803	4.8294	1.3914	4.5095	4.9147	2.7761	4.4426	5.8953	2.4112	4.8876	5.9344	1.0843	3.7763	2.8888	3.3807	3.6096	5.2141	2.1452	5.2644	5.3466	3.8604	5.1615	6.8927	3.3944	5.8350	6.9514
C7	2.5590	3.3288	3.4977	1.3921	2.9269	3.5670		3.5670	4.8294	2.3973	3.4803	4.9147	1.3914	4.5095	5.8953	2.7761	4.4426	5.9344	2.4112	4.8876	2.8888	1.0843	3.7763	5.2141	3.3807	3.6096	5.3466	2.1452	5.2644	6.8927	3.8604	5.1615	6.9514	3.3944	5.8350
C8	2.5590	3.3288	2.9269	3.4977	1.3921	3.5670	3.5670		3.4803	4.8294	2.3973	4.5095	4.9147	1.3914	4.4426	5.8953	2.7761	4.8876	5.9344	2.4112	3.7763	2.8888	1.0843	3.6096	5.2141	3.3807	5.2644	5.3466	2.1452	5.1615	6.8927	3.8604	5.8350	6.9514	3.3944
C9	2.5112	2.6226	1.3954	3.7862	3.2139	2.3973	4.8294	3.4803		4.3209	4.3209	2.7681	6.0369	4.7056	1.3868	5.6367	5.3560	2.4056	6.3825	5.5207	3.3826	4.9300	3.1332	1.0859	3.9828	4.6407	3.8525	6.8947	5.2545	2.1441	6.2608	6.2687	3.3894	7.4283	6.5173
C10	2.5112	2.6226	3.2139	1.3954	3.7862	3.4803	2.3973	4.8294	4.3209		4.3209	4.7056	2.7681	6.0369	5.3560	1.3868	5.6367	5.5207	2.4056	6.3825	3.1332	3.3826	4.9300	4.6407	1.0859	3.9828	5.2545	3.8525	6.8947	6.2687	2.1441	6.2608	6.5173	3.3894	7.4283
C11	2.5112	2.6226	3.7862	3.2139	1.3954	4.8294	3.4803	2.3973	4.3209	4.3209		6.0369	4.7056	2.7681	5.6367	5.3560	1.3868	6.3825	5.5207	2.4056	4.9300	3.1332	3.3826	3.9828	4.6407	1.0859	6.8947	5.2545	3.8525	6.2608	6.2687	2.1441	7.4283	6.5173	3.3894
C12	3.8324	4.4773	2.4172	4.3034	4.6725	1.3914	4.9147	4.5095	2.7681	4.7056	6.0369		5.7685	5.7685	2.4006	5.5926	7.0273	1.3879	6.0737	6.9171	2.1472	5.0680	3.6335	3.8539	4.6793	6.4722	1.0844	6.4650	6.0101	3.3856	6.1824	8.0546	2.1489	6.9452	7.8814
C13	3.8324	4.4773	4.6725	2.4172	4.3034	4.5095	1.3914	4.9147	6.0369	2.7681	4.7056	5.7685		5.7685	7.0273	2.4006	5.5926	6.9171	1.3879	6.0737	3.6335	2.1472	5.0680	6.4722	3.8539	4.6793	6.0101	1.0844	6.4650	8.0546	3.3856	6.1824	7.8814	2.1489	6.9452
C14	3.8324	4.4773	4.3034	4.6725	2.4172	4.9147	4.5095	1.3914	4.7056	6.0369	2.7681	5.7685	5.7685		5.5926	7.0273	2.4006	6.0737	6.9171	1.3879	5.0680	3.6335	2.1472	4.6793	6.4722	3.8539	6.4650	6.0101	1.0844	6.1824	8.0546	3.3856	6.9452	7.8814	2.1489
C15	3.8000	3.9782	2.4210	4.9276	4.4636	2.7761	5.8953	4.4426	1.3868	5.3560	5.6367	2.4006	7.0273	5.5926		6.5801	6.5801	1.3909	7.3300	6.5654	3.8603	5.9779	3.8338	2.1446	4.9710	6.0173	3.3858	7.8501	5.9304	1.0844	7.1245	7.5256	2.1514	8.3283	7.5013
C16	3.8000	3.9782	4.4636	2.4210	4.9276	4.4426	2.7761	5.8953	5.6367	1.3868	5.3560	5.5926	2.4006	7.0273	6.5801		6.5801	6.5654	1.3909	7.3300	3.8338	3.8603	5.9779	6.0173	2.1446	4.9710	5.9304	3.3858	7.8501	7.5256	1.0844	7.1245	7.5013	2.1514	8.3283
C17	3.8000	3.9782	4.9276	4.4636	2.4210	5.8953	4.4426	2.7761	5.3560	5.6367	1.3868	7.0273	5.5926	2.4006	6.5801	6.5801		7.3300	6.5654	1.3909	5.9779	3.8338	3.8603	4.9710	6.0173	2.1446	7.8501	5.9304	3.3858	7.1245	7.5256	1.0844	8.3283	7.5013	2.1514
C18	4.3222	4.7407	2.8001	5.1404	5.0726	2.4112	5.9344	4.8876	2.4056	5.5207	6.3825	1.3879	6.9171	6.0737	1.3909	6.5654	7.3300		7.2010	7.2010	3.3908	6.0389	4.0517	3.3887	5.2711	6.8171	2.1472	7.6679	6.2817	2.1504	7.0942	8.3380	1.0841	8.1202	8.1339
C19	4.3222	4.7407	5.0726	2.8001	5.1404	4.8876	2.4112	5.9344	6.3825	2.4056	5.5207	6.0737	1.3879	6.9171	7.3300	1.3909	6.5654	7.2010		7.2010	4.0517	3.3908	6.0389	6.8171	3.3887	5.2711	6.2817	2.1472	7.6679	8.3380	2.1504	7.0942	8.1339	1.0841	8.1202
C20	4.3222	4.7407	5.1404	5.0726	2.8001	5.9344	4.8876	2.4112	5.5207	6.3825	2.4056	6.9171	6.0737	1.3879	6.5654	7.3300	1.3909	7.2010	7.2010		6.0389	4.0517	3.3908	5.2711	6.8171	3.3887	7.6679	6.2817	2.1472	7.0942	8.3380	2.1504	8.1202	8.1339	1.0841
H21	2.7728	3.6667	2.1466	2.5765	3.6730	1.0843	2.8888	3.7763	3.3826	3.1332	4.9300	2.1472	3.6335	5.0680	3.8603	3.8338	5.9779	3.3908	4.0517	6.0389		3.1817	3.1817	4.2792	3.5540	5.2853	2.4654	4.3238	5.5080	4.9446	4.6218	6.9483	4.2860	4.9423	7.0412
H22	2.7728	3.6667	3.6730	2.1466	2.5765	3.7763	1.0843	2.8888	4.9300	3.3826	3.1332	5.0680	2.1472	3.6335	5.9779	3.8603	3.8338	6.0389	3.3908	4.0517	3.1817		3.1817	5.2853	4.2792	3.5540	5.5080	2.4654	4.3238	6.9483	4.9446	4.6218	7.0412	4.2860	4.9423
H23	2.7728	3.6667	2.5765	3.6730	2.1466	2.8888	3.7763	1.0843	3.1332	4.9300	3.3826	3.6335	5.0680	2.1472	3.8338	5.9779	3.8603	4.0517	6.0389	3.3908	3.1817	3.1817		3.5540	5.2853	4.2792	4.3238	5.5080	2.4654	4.6218	6.9483	4.9446	4.9423	7.0412	4.2860
H24	2.6847	2.4317	2.1463	4.1105	3.1593	3.3807	5.2141	3.6096	1.0859	4.6407	3.9828	3.8539	6.4722	4.6793	2.1446	6.0173	4.9710	3.3887	6.8171	5.2711	4.2792	5.2853	3.5540		4.2112	4.2112	4.9383	7.3471	5.3267	2.4666	6.6212	5.7796	4.2852	7.8830	6.2348
H25	2.6847	2.4317	3.1593	2.1463	4.1105	3.6096	3.3807	5.2141	3.9828	1.0859	4.6407	4.6793	3.8539	6.4722	4.9710	2.1446	6.0173	5.2711	3.3887	6.8171	3.5540	4.2792	5.2853	4.2112		4.2112	5.3267	4.9383	7.3471	5.7796	2.4666	6.6212	6.2348	4.2852	7.8830
H26	2.6847	2.4317	4.1105	3.1593	2.1463	5.2141	3.6096	3.3807	4.6407	3.9828	1.0859	6.4722	4.6793	3.8539	6.0173	4.9710	2.1446	6.8171	5.2711	3.3887	5.2853	3.5540	4.2792	4.2112	4.2112		7.3471	5.3267	4.9383	6.6212	5.7796	2.4666	7.8830	6.2348	4.2852
H27	4.7020	5.4168	3.3952	4.9270	5.5209	2.1452	5.3466	5.2644	3.8525	5.2545	6.8947	1.0844	6.0101	6.4650	3.3858	5.9304	7.8501	2.1472	6.2817	7.6679	2.4654	5.5080	4.3238	4.9383	5.3267	7.3471		6.6050	6.6050	4.2852	6.4746	8.8894	2.4774	7.0411	8.6000
H28	4.7020	5.4168	5.5209	3.3952	4.9270	5.2644	2.1452	5.3466	6.8947	3.8525	5.2545	6.4650	1.0844	6.0101	7.8501	3.3858	5.9304	7.6679	2.1472	6.2817	4.3238	2.4654	5.5080	7.3471	4.9383	5.3267	6.6050		6.6050	8.8894	4.2852	6.4746	8.6000	2.4774	7.0411
H29	4.7020	5.4168	4.9270	5.5209	3.3952	5.3466	5.2644	2.1452	5.2545	6.8947	3.8525	6.0101	6.4650	1.0844	5.9304	7.8501	3.3858	6.2817	7.6679	2.1472	5.5080	4.3238	2.4654	5.3267	7.3471	4.9383	6.6050	6.6050		6.4746	8.8894	4.2852	7.0411	8.6000	2.4774
H30	4.6549	4.6702	3.4001	5.8790	5.2031	3.8604	6.8927	5.1615	2.1441	6.2687	6.2608	3.3856	8.0546	6.1824	1.0844	7.5256	7.1245	2.1504	8.3380	7.0942	4.9446	6.9483	4.6218	2.4666	5.7796	6.6212	4.2852	8.8894	6.4746		8.0190	8.0190	2.4811	9.3430	7.9696
H31	4.6549	4.6702	5.2031	3.4001	5.8790	5.1615	3.8604	6.8927	6.2608	2.1441	6.2687	6.1824	3.3856	8.0546	7.1245	1.0844	7.5256	7.0942	2.1504	8.3380	4.6218	4.9446	6.9483	6.6212	2.4666	5.7796	6.4746	4.2852	8.8894	8.0190		8.0190	7.9696	2.4811	9.3430
H32	4.6549	4.6702	5.8790	5.2031	3.4001	6.8927	5.1615	3.8604	6.2687	6.2608	2.1441	8.0546	6.1824	3.3856	7.5256	7.1245	1.0844	8.3380	7.0942	2.1504	6.9483	4.6218	4.9446	5.7796	6.6212	2.4666	8.8894	6.4746	4.2852	8.0190	8.0190		9.3430	7.9696	2.4811
H33	5.4063	5.8019	3.8843	6.1946	6.1179	3.3944	6.9514	5.8350	3.3894	6.5173	7.4283	2.1489	7.8814	6.9452	2.1514	7.5013	8.3283	1.0841	8.1339	8.1202	4.2860	7.0412	4.9423	4.2852	6.2348	7.8830	2.4774	8.6000	7.0411	2.4811	7.9696	9.3430		9.0090	9.0090
H34	5.4063	5.8019	6.1179	3.8843	6.1946	5.8350	3.3944	6.9514	7.4283	3.3894	6.5173	6.9452	2.1489	7.8814	8.3283	2.1514	7.5013	8.1202	1.0841	8.1339	4.9423	4.2860	7.0412	7.8830	4.2852	6.2348	7.0411	2.4774	8.6000	9.3430	2.4811	7.9696	9.0090		9.0090
H35	5.4063	5.8019	6.1946	6.1179	3.8843	6.9514	5.8350	3.3944	6.5173	7.4283	3.3894	7.8814	6.9452	2.1489	7.5013	8.3283	2.1514	8.1339	8.1202	1.0841	7.0412	4.9423	4.2860	6.2348	7.8830	4.2852	8.6000	7.0411	2.4774	7.9696	9.3430	2.4811	9.0090	9.0090

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.682	C1	C3	C9	118.654
C1	C4	C7	122.682	C1	C4	C10	118.654
C1	C5	C8	122.682	C1	C5	C11	118.654
H2	C1	C3	106.176	H2	C1	C4	106.176
H2	C1	C5	106.176	C3	C1	C4	112.556
C3	C1	C5	112.556	C3	C6	C12	120.547
C3	C6	H21	119.670	C3	C9	C15	120.958
C3	C9	H24	119.236	C4	C1	C5	112.556
C4	C7	C13	120.547	C4	C7	H22	119.670
C4	C10	C16	120.958	C4	C10	H25	119.236
C5	C8	C14	120.547	C5	C8	H23	119.670
C5	C11	C17	120.958	C5	C11	H26	119.236
C6	C3	C9	118.633	C6	C12	C18	120.344
C6	C12	H27	119.587	C7	C4	C10	118.633
C7	C13	C19	120.344	C7	C13	H28	119.587
C8	C5	C11	118.633	C8	C14	C20	120.344
C8	C14	H29	119.587	C9	C15	C18	120.003
C9	C15	H30	119.871	C10	C16	C19	120.003
C10	C16	H31	119.871	C11	C17	C20	120.003
C11	C17	H32	119.871	C12	C5	H21	26.520
C12	C18	C15	119.514	C12	C18	H33	120.246
C13	C7	H22	119.781	C13	C19	C16	119.514
C13	C19	H34	120.246	C14	C8	H23	119.781
C14	C20	C17	119.514	C14	C20	H35	120.246
C15	C9	H24	119.804	C15	C18	H33	120.240
C16	C10	H25	119.804	C16	C19	H34	120.240
C17	C11	H26	119.804	C17	C20	H35	120.240
C18	C12	H27	120.069	C18	C15	H30	120.126
C19	C13	H28	120.069	C19	C16	H31	120.126
C20	C14	H29	120.069	C20	C17	H32	120.126

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at wB97X-D/6-311G** Charges (e)

Number	Element	Mulliken
1	C	-0.110
2	H	0.154
3	C	-0.106
4	C	-0.106
5	C	-0.106
6	C	-0.082
7	C	-0.082
8	C	-0.082
9	C	-0.060
10	C	-0.060
11	C	-0.060
12	C	-0.106
13	C	-0.106
14	C	-0.106
15	C	-0.102
16	C	-0.102
17	C	-0.102
18	C	-0.107
19	C	-0.107
20	C	-0.107
21	H	0.121
22	H	0.121
23	H	0.121
24	H	0.104
25	H	0.104
26	H	0.104
27	H	0.108
28	H	0.108
29	H	0.108
30	H	0.108
31	H	0.108
32	H	0.108
33	H	0.108
34	H	0.108
35	H	0.108

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	0.006	0.006
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-105.576	0.000	0.000
y	0.000	-105.576	0.000
z	0.000	0.000	-105.727

Traceless
	x	y	z
x	0.076	0.000	0.000
y	0.000	0.076	0.000
z	0.000	0.000	-0.151

Polar
3z²-r²	-0.302
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	31.270	0.009	0.002
y	0.009	31.265	-0.004
z	0.002	-0.004	23.673

<r²> (average value of r²) Å²

<r²>	1388.160
(<r²>)^1/2	37.258

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: wB97X-D/6-311G**

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: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)