CCCBDB calculation results Page

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

Energy calculated at wB97X-D/cc-pVTZ

	hartrees
Energy at 0K	-733.649645
Energy at 298.15K
HF Energy	-733.649645
Nuclear repulsion energy	1290.420698

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/cc-pVTZ

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3217	3075	3.98
2	A	3207	3066	25.67
3	A	3198	3058	17.77
4	A	3189	3048	0.18
5	A	3179	3039	5.46
6	A	3057	2922	8.37
7	A	1686	1611	0.00
8	A	1658	1585	3.08
9	A	1547	1479	1.26
10	A	1498	1432	11.41
11	A	1367	1307	1.76
12	A	1324	1266	0.20
13	A	1218	1165	0.51
14	A	1204	1151	0.10
15	A	1189	1137	0.00
16	A	1122	1073	12.62
17	A	1066	1019	0.22
18	A	1033	988	0.06
19	A	1025	980	0.02
20	A	1007	963	0.09
21	A	957	915	1.26
22	A	873	835	0.03
23	A	848	811	2.81
24	A	756	723	17.47
25	A	725	693	39.78
26	A	682	652	6.95
27	A	641	613	1.04
28	A	485	463	3.78
29	A	423	404	0.01
30	A	275	262	0.10
31	A	220	211	0.38
32	A	88	85	0.26
33	A	48	46	0.00
34	E	3216	3075	25.14
34	E	3216	3075	25.07
35	E	3207	3066	17.29
35	E	3207	3066	17.26
36	E	3198	3058	6.31
36	E	3198	3058	6.29
37	E	3189	3048	0.03
37	E	3189	3048	0.03
38	E	3178	3039	5.51
38	E	3178	3039	5.48
39	E	1680	1606	13.26
39	E	1680	1606	13.25
40	E	1663	1590	0.39
40	E	1663	1590	0.38
41	E	1548	1480	24.08
41	E	1548	1480	24.15
42	E	1505	1438	5.83
42	E	1505	1438	5.82
43	E	1378	1317	0.01
43	E	1378	1317	0.01
44	E	1350	1291	1.95
44	E	1350	1291	1.95
45	E	1293	1236	1.92
45	E	1292	1236	1.90
46	E	1224	1171	1.08
46	E	1224	1171	1.07
47	E	1215	1162	0.96
47	E	1215	1162	0.95
48	E	1189	1137	0.05
48	E	1189	1137	0.05
49	E	1118	1069	0.79
49	E	1118	1069	0.79
50	E	1068	1021	9.16
50	E	1068	1021	9.18
51	E	1033	988	0.93
51	E	1033	988	0.92
52	E	1025	980	0.04
52	E	1025	980	0.04
53	E	1006	962	0.12
53	E	1006	962	0.12
54	E	955	913	2.18
54	E	955	913	2.18
55	E	892	852	1.02
55	E	892	852	1.05
56	E	870	832	0.07
56	E	870	832	0.07
57	E	784	750	16.57
57	E	784	750	16.59
58	E	724	692	44.42
58	E	724	692	44.44
59	E	645	616	2.50
59	E	645	616	2.46
60	E	627	600	14.68
60	E	627	600	14.66
61	E	512	490	4.60
61	E	512	490	4.60
62	E	419	401	0.17
62	E	419	401	0.17
63	E	306	292	0.56
63	E	306	292	0.56
64	E	237	227	0.54
64	E	237	227	0.54
65	E	64	62	0.14
65	E	64	62	0.14
66	E	32	31	0.04
66	E	32	31	0.04

Unscaled Zero Point Vibrational Energy (zpe) 64356.5 cm^-1
Scaled (by 0.956) Zero Point Vibrational Energy (zpe) 61524.8 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/cc-pVTZ

A	B	C
0.01313	0.01313	0.00764

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

Geometric Data calculated at wB97X-D/cc-pVTZ

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.751
H2	0.000	0.000	1.845
C3	0.000	1.462	0.332
C4	1.266	-0.731	0.332
C5	-1.266	-0.731	0.332
C6	0.706	1.930	-0.768
C7	1.319	-1.576	-0.768
C8	-2.024	-0.354	-0.768
C9	-0.773	2.362	1.060
C10	2.432	-0.512	1.060
C11	-1.659	-1.850	1.060
C12	0.636	3.267	-1.135
C13	2.511	-2.184	-1.135
C14	-3.148	-1.083	-1.135
C15	-0.842	3.696	0.700
C16	3.622	-1.119	0.700
C17	-2.780	-2.577	0.700
C18	-0.137	4.154	-0.404
C19	3.666	-1.958	-0.404
C20	-3.529	-2.196	-0.404
H21	1.321	1.249	-1.341
H22	0.421	-1.768	-1.341
H23	-1.742	0.520	-1.341
H24	-1.332	2.008	1.918
H25	2.405	0.150	1.918
H26	-1.073	-2.157	1.918
H27	1.193	3.615	-1.995
H28	2.534	-2.840	-1.995
H29	-3.727	-0.774	-1.995
H30	-1.446	4.380	1.280
H31	4.517	-0.938	1.280
H32	-3.070	-3.443	1.280
H33	-0.186	5.196	-0.689
H34	4.593	-2.437	-0.689
H35	-4.407	-2.759	-0.689

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		1.0933	1.5205	1.5205	1.5205	2.5557	2.5557	2.5557	2.5045	2.5045	2.5045	3.8259	3.8259	3.8259	3.7912	3.7912	3.7912	4.3138	4.3138	4.3138	2.7713	2.7713	2.7713	2.6767	2.6767	2.6767	4.6938	4.6938	4.6938	4.6433	4.6433	4.6433	5.3952	5.3952	5.3952
H2	1.0933		2.1033	2.1033	2.1033	3.3242	3.3242	3.3242	2.6063	2.6063	2.6063	4.4674	4.4674	4.4674	3.9600	3.9600	3.9600	4.7256	4.7256	4.7256	3.6674	3.6674	3.6674	2.4104	2.4104	2.4104	5.4067	5.4067	5.4067	4.6475	4.6475	4.6475	5.7838	5.7838	5.7838
C3	1.5205	2.1033		2.5316	2.5316	1.3886	3.4896	2.9333	1.3921	3.2155	3.7752	2.4119	4.6641	4.3050	2.4160	4.4623	4.9169	2.7945	5.0672	5.1351	2.1421	3.6615	2.5922	2.1414	3.1649	4.0940	3.3874	5.5086	4.9300	3.3926	5.2015	5.8634	3.8760	6.1104	6.1870
C4	1.5205	2.1033	2.5316		2.5316	2.9333	1.3886	3.4896	3.7752	1.3921	3.2155	4.3050	2.4119	4.6641	4.9169	2.4160	4.4623	5.1351	2.7945	5.0672	2.5922	2.1421	3.6615	4.0940	2.1414	3.1649	4.9300	3.3874	5.5086	5.8634	3.3926	5.2015	6.1870	3.8760	6.1104
C5	1.5205	2.1033	2.5316	2.5316		3.4896	2.9333	1.3886	3.2155	3.7752	1.3921	4.6641	4.3050	2.4119	4.4623	4.9169	2.4160	5.0672	5.1351	2.7945	3.6615	2.5922	2.1421	3.1649	4.0940	2.1414	5.5086	4.9300	3.3874	5.2015	5.8634	3.3926	6.1104	6.1870	3.8760
C6	2.5557	3.3242	1.3886	2.9333	3.4896		3.5592	3.5592	2.3907	3.5051	4.8194	1.3884	4.5082	4.9049	2.7694	4.4669	5.8838	2.4058	4.9003	5.9231	1.0818	3.7530	2.8821	3.3722	3.6426	5.2040	2.1403	5.2540	5.3353	3.8511	5.1907	6.8790	3.3867	5.8470	6.9379
C7	2.5557	3.3242	3.4896	1.3886	2.9333	3.5592		3.5592	4.8194	2.3907	3.5051	4.9049	1.3884	4.5082	5.8838	2.7694	4.4669	5.9231	2.4058	4.9003	2.8821	1.0818	3.7530	5.2040	3.3722	3.6426	5.3353	2.1403	5.2540	6.8790	3.8511	5.1907	6.9379	3.3867	5.8470
C8	2.5557	3.3242	2.9333	3.4896	1.3886	3.5592	3.5592		3.5051	4.8194	2.3907	4.5082	4.9049	1.3884	4.4669	5.8838	2.7694	4.9003	5.9231	2.4058	3.7530	2.8821	1.0818	3.6426	5.2040	3.3722	5.2540	5.3353	2.1403	5.1907	6.8790	3.8511	5.8470	6.9379	3.3867
C9	2.5045	2.6063	1.3921	3.7752	3.2155	2.3907	4.8194	3.5051		4.3048	4.3048	2.7608	6.0230	4.7250	1.3835	5.6179	5.3440	2.3997	6.3649	5.5239	3.3744	4.9243	3.1777	1.0834	3.9656	4.6100	3.8426	6.8801	5.2818	2.1390	6.2383	6.2470	3.3814	7.4082	6.5189
C10	2.5045	2.6063	3.2155	1.3921	3.7752	3.5051	2.3907	4.8194	4.3048		4.3048	4.7250	2.7608	6.0230	5.3440	1.3835	5.6179	5.5239	2.3997	6.3649	3.1777	3.3744	4.9243	4.6100	1.0834	3.9656	5.2818	3.8426	6.8801	6.2470	2.1390	6.2383	6.5189	3.3814	7.4082
C11	2.5045	2.6063	3.7752	3.2155	1.3921	4.8194	3.5051	2.3907	4.3048	4.3048		6.0230	4.7250	2.7608	5.6179	5.3440	1.3835	6.3649	5.5239	2.3997	4.9243	3.1777	3.3744	3.9656	4.6100	1.0834	6.8801	5.2818	3.8426	6.2383	6.2470	2.1390	7.4082	6.5189	3.3814
C12	3.8259	4.4674	2.4119	4.3050	4.6641	1.3884	4.9049	4.5082	2.7608	4.7250	6.0230		5.7652	5.7652	2.3947	5.6140	7.0138	1.3847	6.0843	6.9080	2.1415	5.0442	3.6394	3.8442	4.7078	6.4547	1.0818	6.4534	6.0090	3.3775	6.2108	8.0370	2.1438	6.9565	7.8708
C13	3.8259	4.4674	4.6641	2.4119	4.3050	4.5082	1.3884	4.9049	6.0230	2.7608	4.7250	5.7652		5.7652	7.0138	2.3947	5.6140	6.9080	1.3847	6.0843	3.6394	2.1415	5.0442	6.4547	3.8442	4.7078	6.0090	1.0818	6.4534	8.0370	3.3775	6.2108	7.8708	2.1438	6.9565
C14	3.8259	4.4674	4.3050	4.6641	2.4119	4.9049	4.5082	1.3884	4.7250	6.0230	2.7608	5.7652	5.7652		5.6140	7.0138	2.3947	6.0843	6.9080	1.3847	5.0442	3.6394	2.1415	4.7078	6.4547	3.8442	6.4534	6.0090	1.0818	6.2108	8.0370	3.3775	6.9565	7.8708	2.1438
C15	3.7912	3.9600	2.4160	4.9169	4.4623	2.7694	5.8838	4.4669	1.3835	5.3440	5.6179	2.3947	7.0138	5.6140		6.5659	6.5659	1.3876	7.3152	6.5687	3.8511	5.9679	3.8809	2.1388	4.9600	5.9833	3.3776	7.8349	5.9637	1.0818	7.1083	7.5010	2.1465	8.3116	7.5038
C16	3.7912	3.9600	4.4623	2.4160	4.9169	4.4669	2.7694	5.8838	5.6179	1.3835	5.3440	5.6140	2.3947	7.0138	6.5659		6.5659	6.5687	1.3876	7.3152	3.8809	3.8511	5.9679	5.9833	2.1388	4.9600	5.9637	3.3776	7.8349	7.5010	1.0818	7.1083	7.5038	2.1465	8.3116
C17	3.7912	3.9600	4.9169	4.4623	2.4160	5.8838	4.4669	2.7694	5.3440	5.6179	1.3835	7.0138	5.6140	2.3947	6.5659	6.5659		7.3152	6.5687	1.3876	5.9679	3.8809	3.8511	4.9600	5.9833	2.1388	7.8349	5.9637	3.3776	7.1083	7.5010	1.0818	8.3116	7.5038	2.1465
C18	4.3138	4.7256	2.7945	5.1351	5.0672	2.4058	5.9231	4.9003	2.3997	5.5239	6.3649	1.3847	6.9080	6.0843	1.3876	6.5687	7.3152		7.1985	7.1985	3.3826	6.0214	4.0816	3.3802	5.2804	6.7895	2.1422	7.6540	6.3011	2.1454	7.1005	8.3157	1.0816	8.1173	8.1305
C19	4.3138	4.7256	5.0672	2.7945	5.1351	4.9003	2.4058	5.9231	6.3649	2.3997	5.5239	6.0843	1.3847	6.9080	7.3152	1.3876	6.5687	7.1985		7.1985	4.0816	3.3826	6.0214	6.7895	3.3802	5.2804	6.3011	2.1422	7.6540	8.3157	2.1454	7.1005	8.1305	1.0816	8.1173
C20	4.3138	4.7256	5.1351	5.0672	2.7945	5.9231	4.9003	2.4058	5.5239	6.3649	2.3997	6.9080	6.0843	1.3847	6.5687	7.3152	1.3876	7.1985	7.1985		6.0214	4.0816	3.3826	5.2804	6.7895	3.3802	7.6540	6.3011	2.1422	7.1005	8.3157	2.1454	8.1173	8.1305	1.0816
H21	2.7713	3.6674	2.1421	2.5922	3.6615	1.0818	2.8821	3.7530	3.3744	3.1777	4.9243	2.1415	3.6394	5.0442	3.8511	3.8809	5.9679	3.3826	4.0816	6.0214		3.1481	3.1481	4.2696	3.6052	5.2863	2.4583	4.3151	5.4772	4.9329	4.6756	6.9397	4.2754	4.9714	7.0210
H22	2.7713	3.6674	3.6615	2.1421	2.5922	3.7530	1.0818	2.8821	4.9243	3.3744	3.1777	5.0442	2.1415	3.6394	5.9679	3.8511	3.8809	6.0214	3.3826	4.0816	3.1481		3.1481	5.2863	4.2696	3.6052	5.4772	2.4583	4.3151	6.9397	4.9329	4.6756	7.0210	4.2754	4.9714
H23	2.7713	3.6674	2.5922	3.6615	2.1421	2.8821	3.7530	1.0818	3.1777	4.9243	3.3744	3.6394	5.0442	2.1415	3.8809	5.9679	3.8511	4.0816	6.0214	3.3826	3.1481	3.1481		3.6052	5.2863	4.2696	4.3151	5.4772	2.4583	4.6756	6.9397	4.9329	4.9714	7.0210	4.2754
H24	2.6767	2.4104	2.1414	4.0940	3.1649	3.3722	5.2040	3.6426	1.0834	4.6100	3.9656	3.8442	6.4547	4.7078	2.1388	5.9833	4.9600	3.3802	6.7895	5.2804	4.2696	5.2863	3.6052		4.1731	4.1731	4.9260	7.3319	5.3648	2.4597	6.5795	5.7563	4.2746	7.8519	6.2426
H25	2.6767	2.4104	3.1649	2.1414	4.0940	3.6426	3.3722	5.2040	3.9656	1.0834	4.6100	4.7078	3.8442	6.4547	4.9600	2.1388	5.9833	5.2804	3.3802	6.7895	3.6052	4.2696	5.2863	4.1731		4.1731	5.3648	4.9260	7.3319	5.7563	2.4597	6.5795	6.2426	4.2746	7.8519
H26	2.6767	2.4104	4.0940	3.1649	2.1414	5.2040	3.6426	3.3722	4.6100	3.9656	1.0834	6.4547	4.7078	3.8442	5.9833	4.9600	2.1388	6.7895	5.2804	3.3802	5.2863	3.6052	4.2696	4.1731	4.1731		7.3319	5.3648	4.9260	6.5795	5.7563	2.4597	7.8519	6.2426	4.2746
H27	4.6938	5.4067	3.3874	4.9300	5.5086	2.1403	5.3353	5.2540	3.8426	5.2818	6.8801	1.0818	6.0090	6.4534	3.3776	5.9637	7.8349	2.1422	6.3011	7.6540	2.4583	5.4772	4.3151	4.9260	5.3648	7.3319		6.5931	6.5931	4.2751	6.5190	8.8719	2.4716	7.0632	8.5845
H28	4.6938	5.4067	5.5086	3.3874	4.9300	5.2540	2.1403	5.3353	6.8801	3.8426	5.2818	6.4534	1.0818	6.0090	7.8349	3.3776	5.9637	7.6540	2.1422	6.3011	4.3151	2.4583	5.4772	7.3319	4.9260	5.3648	6.5931		6.5931	8.8719	4.2751	6.5190	8.5845	2.4716	7.0632
H29	4.6938	5.4067	4.9300	5.5086	3.3874	5.3353	5.2540	2.1403	5.2818	6.8801	3.8426	6.0090	6.4534	1.0818	5.9637	7.8349	3.3776	6.3011	7.6540	2.1422	5.4772	4.3151	2.4583	5.3648	7.3319	4.9260	6.5931	6.5931		6.5190	8.8719	4.2751	7.0632	8.5845	2.4716
H30	4.6433	4.6475	3.3926	5.8634	5.2015	3.8511	6.8790	5.1907	2.1390	6.2470	6.2383	3.3775	8.0370	6.2108	1.0818	7.5010	7.1083	2.1454	8.3157	7.1005	4.9329	6.9397	4.6756	2.4597	5.7563	6.5795	4.2751	8.8719	6.5190		7.9901	7.9901	2.4757	9.3180	7.9761
H31	4.6433	4.6475	5.2015	3.3926	5.8634	5.1907	3.8511	6.8790	6.2383	2.1390	6.2470	6.2108	3.3775	8.0370	7.1083	1.0818	7.5010	7.1005	2.1454	8.3157	4.6756	4.9329	6.9397	6.5795	2.4597	5.7563	6.5190	4.2751	8.8719	7.9901		7.9901	7.9761	2.4757	9.3180
H32	4.6433	4.6475	5.8634	5.2015	3.3926	6.8790	5.1907	3.8511	6.2470	6.2383	2.1390	8.0370	6.2108	3.3775	7.5010	7.1083	1.0818	8.3157	7.1005	2.1454	6.9397	4.6756	4.9329	5.7563	6.5795	2.4597	8.8719	6.5190	4.2751	7.9901	7.9901		9.3180	7.9761	2.4757
H33	5.3952	5.7838	3.8760	6.1870	6.1104	3.3867	6.9379	5.8470	3.3814	6.5189	7.4082	2.1438	7.8708	6.9565	2.1465	7.5038	8.3116	1.0816	8.1305	8.1173	4.2754	7.0210	4.9714	4.2746	6.2426	7.8519	2.4716	8.5845	7.0632	2.4757	7.9761	9.3180		9.0058	9.0058
H34	5.3952	5.7838	6.1104	3.8760	6.1870	5.8470	3.3867	6.9379	7.4082	3.3814	6.5189	6.9565	2.1438	7.8708	8.3116	2.1465	7.5038	8.1173	1.0816	8.1305	4.9714	4.2754	7.0210	7.8519	4.2746	6.2426	7.0632	2.4716	8.5845	9.3180	2.4757	7.9761	9.0058		9.0058
H35	5.3952	5.7838	6.1870	6.1104	3.8760	6.9379	5.8470	3.3867	6.5189	7.4082	3.3814	7.8708	6.9565	2.1438	7.5038	8.3116	2.1465	8.1305	8.1173	1.0816	7.0210	4.9714	4.2754	6.2426	7.8519	4.2746	8.5845	7.0632	2.4716	7.9761	9.3180	2.4757	9.0058	9.0058

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.865	C1	C3	C9	118.535
C1	C4	C7	122.865	C1	C4	C10	118.535
C1	C5	C8	122.865	C1	C5	C11	118.535
H2	C1	C3	106.002	H2	C1	C4	106.002
H2	C1	C5	106.002	C3	C1	C4	112.706
C3	C1	C5	112.706	C3	C6	C12	120.578
C3	C6	H21	119.726	C3	C9	C15	121.017
C3	C9	H24	119.251	C4	C1	C5	112.706
C4	C7	C13	120.578	C4	C7	H22	119.726
C4	C10	C16	121.017	C4	C10	H25	119.251
C5	C8	C14	120.578	C5	C8	H23	119.726
C5	C11	C17	121.017	C5	C11	H26	119.251
C6	C3	C9	118.571	C6	C12	C18	120.352
C6	C12	H27	119.577	C7	C4	C10	118.571
C7	C13	C19	120.352	C7	C13	H28	119.577
C8	C5	C11	118.571	C8	C14	C20	120.352
C8	C14	H29	119.577	C9	C15	C18	119.991
C9	C15	H30	119.875	C10	C16	C19	119.991
C10	C16	H31	119.875	C11	C17	C20	119.991
C11	C17	H32	119.875	C12	C5	H21	26.472
C12	C18	C15	119.491	C12	C18	H33	120.249
C13	C7	H22	119.695	C13	C19	C16	119.491
C13	C19	H34	120.249	C14	C8	H23	119.695
C14	C20	C17	119.491	C14	C20	H35	120.249
C15	C9	H24	119.732	C15	C18	H33	120.259
C16	C10	H25	119.732	C16	C19	H34	120.259
C17	C11	H26	119.732	C17	C20	H35	120.259
C18	C12	H27	120.071	C18	C15	H30	120.133
C19	C13	H28	120.071	C19	C16	H31	120.133
C20	C14	H29	120.071	C20	C17	H32	120.133

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at wB97X-D/cc-pVTZ Charges (e)

Number	Element	Mulliken
1	C	-0.096
2	H	0.141
3	C	0.020
4	C	0.020
5	C	0.020
6	C	-0.136
7	C	-0.136
8	C	-0.136
9	C	-0.140
10	C	-0.140
11	C	-0.140
12	C	-0.122
13	C	-0.122
14	C	-0.122
15	C	-0.115
16	C	-0.115
17	C	-0.115
18	C	-0.124
19	C	-0.124
20	C	-0.124
21	H	0.137
22	H	0.137
23	H	0.137
24	H	0.119
25	H	0.119
26	H	0.119
27	H	0.115
28	H	0.115
29	H	0.115
30	H	0.113
31	H	0.113
32	H	0.113
33	H	0.116
34	H	0.116
35	H	0.116

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	0.036	0.036
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-105.955	0.000	0.000
y	0.000	-105.955	0.000
z	0.000	0.000	-105.556

Traceless
	x	y	z
x	-0.200	0.000	0.000
y	0.000	-0.200	0.000
z	0.000	0.000	0.399

Polar
3z²-r²	0.798
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	32.606	0.008	0.003
y	0.008	32.602	-0.004
z	0.003	-0.004	25.060

<r²> (average value of r²) Å²

<r²>	1385.752
(<r²>)^1/2	37.226

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: wB97X-D/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)