CCCBDB calculation results Page

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

Energy calculated at HSEh1PBE/3-21G

	hartrees
Energy at 0K	-728.827998
Energy at 298.15K
HF Energy	-728.827998
Nuclear repulsion energy	1290.044736

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 HSEh1PBE/3-21G

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3242	3123	2.82
2	A	3232	3113	10.28
3	A	3222	3104	19.88
4	A	3212	3094	0.01
5	A	3204	3086	2.56
6	A	3062	2950	5.35
7	A	1658	1598	0.02
8	A	1634	1574	3.66
9	A	1553	1496	2.42
10	A	1507	1452	16.98
11	A	1389	1338	3.53
12	A	1341	1292	0.09
13	A	1244	1198	0.57
14	A	1232	1187	0.04
15	A	1213	1168	0.03
16	A	1125	1084	10.64
17	A	1072	1033	0.20
18	A	1046	1007	0.00
19	A	1045	1007	0.12
20	A	1021	983	0.01
21	A	967	932	1.31
22	A	887	854	0.01
23	A	851	820	5.08
24	A	771	742	17.51
25	A	741	714	54.64
26	A	688	663	10.77
27	A	656	632	1.06
28	A	487	469	4.18
29	A	429	413	0.09
30	A	276	266	0.11
31	A	221	213	0.69
32	A	79	76	0.39
33	A	41	40	0.01
34	E	3241	3122	19.33
34	E	3241	3122	19.33
35	E	3231	3113	9.83
35	E	3231	3113	9.85
36	E	3222	3104	6.43
36	E	3222	3104	6.43
37	E	3212	3094	0.50
37	E	3212	3094	0.50
38	E	3204	3086	3.53
38	E	3204	3086	3.53
39	E	1653	1592	10.20
39	E	1653	1592	10.20
40	E	1639	1579	0.45
40	E	1639	1579	0.45
41	E	1553	1496	33.81
41	E	1553	1496	33.81
42	E	1514	1458	7.14
42	E	1514	1458	7.14
43	E	1405	1353	0.28
43	E	1405	1353	0.28
44	E	1361	1311	0.91
44	E	1361	1311	0.91
45	E	1294	1246	1.63
45	E	1294	1246	1.63
46	E	1245	1199	2.17
46	E	1245	1199	2.17
47	E	1234	1189	0.30
47	E	1234	1189	0.30
48	E	1232	1187	0.94
48	E	1232	1187	0.94
49	E	1122	1080	0.81
49	E	1122	1080	0.81
50	E	1072	1032	11.28
50	E	1072	1032	11.28
51	E	1049	1010	0.06
51	E	1049	1010	0.06
52	E	1045	1006	0.07
52	E	1045	1006	0.07
53	E	1018	981	0.05
53	E	1018	981	0.05
54	E	965	929	2.64
54	E	965	929	2.64
55	E	892	859	0.92
55	E	892	859	0.92
56	E	882	849	0.00
56	E	882	849	0.00
57	E	795	766	17.94
57	E	795	766	17.94
58	E	740	712	59.83
58	E	740	712	59.83
59	E	661	637	3.61
59	E	661	637	3.61
60	E	641	617	15.16
60	E	641	617	15.16
61	E	517	498	6.34
61	E	517	498	6.34
62	E	424	409	0.23
62	E	424	409	0.23
63	E	305	294	0.71
63	E	305	294	0.71
64	E	234	226	0.69
64	E	234	226	0.69
65	E	60	58	0.20
65	E	60	58	0.20
66	E	21	21	0.05
66	E	21	21	0.05

Unscaled Zero Point Vibrational Energy (zpe) 64853.3 cm^-1
Scaled (by 0.9633) Zero Point Vibrational Energy (zpe) 62473.1 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 HSEh1PBE/3-21G

A	B	C
0.01320	0.01320	0.00768

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

Geometric Data calculated at HSEh1PBE/3-21G

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.827
H2	0.000	0.000	1.927
C3	0.000	1.455	0.372
C4	1.260	-0.728	0.372
C5	-1.260	-0.728	0.372
C6	0.740	1.886	-0.731
C7	1.263	-1.584	-0.731
C8	-2.003	-0.302	-0.731
C9	-0.794	2.379	1.059
C10	2.458	-0.502	1.059
C11	-1.664	-1.877	1.059
C12	0.685	3.219	-1.140
C13	2.445	-2.202	-1.140
C14	-3.130	-1.016	-1.140
C15	-0.845	3.710	0.656
C16	3.635	-1.123	0.656
C17	-2.790	-2.587	0.656
C18	-0.105	4.134	-0.448
C19	3.632	-1.976	-0.448
C20	-3.528	-2.157	-0.448
H21	1.366	1.174	-1.256
H22	0.333	-1.770	-1.256
H23	-1.699	0.596	-1.256
H24	-1.379	2.047	1.911
H25	2.463	0.170	1.911
H26	-1.084	-2.218	1.911
H27	1.266	3.541	-1.997
H28	2.434	-2.867	-1.997
H29	-3.700	-0.675	-1.997
H30	-1.460	4.417	1.202
H31	4.555	-0.944	1.202
H32	-3.095	-3.473	1.202
H33	-0.141	5.171	-0.763
H34	4.548	-2.463	-0.763
H35	-4.408	-2.707	-0.763

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		1.1003	1.5246	1.5246	1.5246	2.5555	2.5555	2.5555	2.5191	2.5191	2.5191	3.8336	3.8336	3.8336	3.8089	3.8089	3.8089	4.3273	4.3273	4.3273	2.7535	2.7535	2.7535	2.6960	2.6960	2.6960	4.7029	4.7029	4.7029	4.6671	4.6671	4.6671	5.4116	5.4116	5.4116
H2	1.1003		2.1301	2.1301	2.1301	3.3420	3.3420	3.3420	2.6545	2.6545	2.6545	4.4984	4.4984	4.4984	4.0119	4.0119	4.0119	4.7688	4.7688	4.7688	3.6573	3.6573	3.6573	2.4684	2.4684	2.4684	5.4353	5.4353	5.4353	4.7083	4.7083	4.7083	5.8305	5.8305	5.8305
C3	1.5246	2.1301		2.5202	2.5202	1.3958	3.4705	2.8837	1.3989	3.2161	3.7874	2.4215	4.6517	4.2647	2.4248	4.4659	4.9198	2.8033	5.0636	5.1154	2.1434	3.6276	2.5048	2.1500	3.1757	4.1273	3.4006	5.4965	4.8818	3.4050	5.2149	5.8783	3.8877	6.1098	6.1677
C4	1.5246	2.1301	2.5202		2.5202	2.8837	1.3958	3.4705	3.7874	1.3989	3.2161	4.2647	2.4215	4.6517	4.9198	2.4248	4.4659	5.1154	2.8033	5.0636	2.5048	2.1434	3.6276	4.1273	2.1500	3.1757	4.8818	3.4006	5.4965	5.8783	3.4050	5.2149	6.1677	3.8877	6.1098
C5	1.5246	2.1301	2.5202	2.5202		3.4705	2.8837	1.3958	3.2161	3.7874	1.3989	4.6517	4.2647	2.4215	4.4659	4.9198	2.4248	5.0636	5.1154	2.8033	3.6276	2.5048	2.1434	3.1757	4.1273	2.1500	5.4965	4.8818	3.4006	5.2149	5.8783	3.4050	6.1098	6.1677	3.8877
C6	2.5555	3.3420	1.3958	2.8837	3.4705		3.5087	3.5087	2.4079	3.4433	4.8104	1.3952	4.4484	4.8542	2.7860	4.4002	5.8643	2.4179	4.8336	5.8856	1.0842	3.7155	2.8086	3.3904	3.5905	5.2101	2.1494	5.2019	5.2789	3.8705	5.1284	6.8672	3.4011	5.7813	6.8989
C7	2.5555	3.3420	3.4705	1.3958	2.8837	3.5087		3.5087	4.8104	2.4079	3.4433	4.8542	1.3952	4.4484	5.8643	2.7860	4.4002	5.8856	2.4179	4.8336	2.8086	1.0842	3.7155	5.2101	3.3904	3.5905	5.2789	2.1494	5.2019	6.8672	3.8705	5.1284	6.8989	3.4011	5.7813
C8	2.5555	3.3420	2.8837	3.4705	1.3958	3.5087	3.5087		3.4433	4.8104	2.4079	4.4484	4.8542	1.3952	4.4002	5.8643	2.7860	4.8336	5.8856	2.4179	3.7155	2.8086	1.0842	3.5905	5.2101	3.3904	5.2019	5.2789	2.1494	5.1284	6.8672	3.8705	5.7813	6.8989	3.4011
C9	2.5191	2.6545	1.3989	3.7874	3.2161	2.4079	4.8104	3.4433		4.3447	4.3447	2.7792	6.0263	4.6714	1.3912	5.6612	5.3678	2.4131	6.3901	5.5072	3.3877	4.8831	3.0589	1.0859	4.0263	4.6846	3.8638	6.8759	5.2066	2.1485	6.2991	6.2903	3.3965	7.4372	6.5003
C10	2.5191	2.6545	3.2161	1.3989	3.7874	3.4433	2.4079	4.8104	4.3447		4.3447	4.6714	2.7792	6.0263	5.3678	1.3912	5.6612	5.5072	2.4131	6.3901	3.0590	3.3877	4.8831	4.6846	1.0859	4.0263	5.2066	3.8638	6.8759	6.2903	2.1485	6.2991	6.5003	3.3965	7.4372
C11	2.5191	2.6545	3.7874	3.2161	1.3989	4.8104	3.4433	2.4079	4.3447	4.3447		6.0263	4.6714	2.7792	5.6612	5.3678	1.3912	6.3901	5.5072	2.4131	4.8831	3.0590	3.3878	4.0263	4.6846	1.0859	6.8759	5.2066	3.8638	6.2991	6.2903	2.1485	7.4372	6.5003	3.3965
C12	3.8336	4.4984	2.4215	4.2647	4.6517	1.3952	4.8542	4.4484	2.7792	4.6714	6.0263		5.6995	5.6995	2.4095	5.5481	7.0003	1.3926	6.0129	6.8648	2.1587	5.0021	3.5459	3.8650	4.6650	6.4800	1.0846	6.3894	5.9256	3.3940	6.1475	8.0342	2.1528	6.8816	7.8225
C13	3.8336	4.4984	4.6517	2.4215	4.2647	4.4484	1.3952	4.8542	6.0263	2.7792	4.6714	5.6995		5.6995	7.0003	2.4095	5.5481	6.8648	1.3926	6.0129	3.5459	2.1587	5.0021	6.4800	3.8650	4.6650	5.9256	1.0846	6.3894	8.0342	3.3940	6.1475	7.8225	2.1528	6.8816
C14	3.8336	4.4984	4.2647	4.6517	2.4215	4.8542	4.4484	1.3952	4.6714	6.0263	2.7792	5.6995	5.6995		5.5481	7.0003	2.4095	6.0129	6.8648	1.3926	5.0021	3.5459	2.1587	4.6650	6.4800	3.8650	6.3894	5.9256	1.0846	6.1475	8.0342	3.3940	6.8816	7.8225	2.1528
C15	3.8089	4.0119	2.4248	4.9198	4.4659	2.7860	5.8643	4.4002	1.3912	5.3678	5.6612	2.4095	7.0003	5.5481		6.5905	6.5905	1.3951	7.3212	6.5454	3.8700	5.9221	3.7522	2.1506	5.0046	6.0639	3.3942	7.8129	5.8659	1.0845	7.1500	7.5470	2.1546	8.3195	7.4757
C16	3.8089	4.0119	4.4659	2.4248	4.9198	4.4002	2.7860	5.8643	5.6612	1.3912	5.3678	5.5481	2.4095	7.0003	6.5905		6.5905	6.5454	1.3951	7.3212	3.7522	3.8700	5.9221	6.0639	2.1506	5.0046	5.8659	3.3942	7.8129	7.5470	1.0845	7.1500	7.4757	2.1546	8.3195
C17	3.8089	4.0119	4.9198	4.4659	2.4248	5.8643	4.4002	2.7860	5.3678	5.6612	1.3912	7.0003	5.5481	2.4095	6.5905	6.5905		7.3212	6.5454	1.3951	5.9221	3.7522	3.8700	5.0046	6.0639	2.1506	7.8129	5.8659	3.3942	7.1500	7.5470	1.0845	8.3195	7.4757	2.1546
C18	4.3273	4.7688	2.8033	5.1154	5.0636	2.4179	5.8856	4.8336	2.4131	5.5072	6.3901	1.3926	6.8648	6.0129	1.3951	6.5454	7.3212		7.1623	7.1623	3.4028	5.9748	3.9636	3.3975	5.2788	6.8460	2.1514	7.6059	6.2003	2.1539	7.0866	8.3384	1.0843	8.0792	8.0881
C19	4.3273	4.7688	5.0636	2.8033	5.1154	4.8336	2.4179	5.8856	6.3901	2.4131	5.5072	6.0129	1.3926	6.8648	7.3212	1.3951	6.5454	7.1623		7.1623	3.9636	3.4028	5.9748	6.8460	3.3975	5.2788	6.2003	2.1514	7.6059	8.3384	2.1539	7.0866	8.0881	1.0843	8.0792
C20	4.3273	4.7688	5.1154	5.0636	2.8033	5.8856	4.8336	2.4179	5.5072	6.3901	2.4131	6.8648	6.0129	1.3926	6.5454	7.3212	1.3951	7.1623	7.1623		5.9748	3.9636	3.4028	5.2788	6.8460	3.3975	7.6059	6.2003	2.1514	7.0866	8.3384	2.1539	8.0792	8.0881	1.0843
H21	2.7535	3.6573	2.1434	2.5048	3.6276	1.0842	2.8086	3.7155	3.3877	3.0590	4.8831	2.1587	3.5459	5.0021	3.8700	3.7522	5.9221	3.4028	3.9636	5.9748		3.1193	3.1193	4.2812	3.4985	5.2472	2.4830	4.2441	5.4429	4.9545	4.5491	6.8944	4.3003	4.8578	6.9743
H22	2.7535	3.6573	3.6276	2.1434	2.5048	3.7155	1.0842	2.8086	4.8831	3.3877	3.0590	5.0021	2.1587	3.5459	5.9221	3.8700	3.7522	5.9748	3.4028	3.9636	3.1193		3.1193	5.2472	4.2812	3.4985	5.4429	2.4830	4.2441	6.8944	4.9545	4.5491	6.9743	4.3003	4.8578
H23	2.7535	3.6573	2.5048	3.6276	2.1434	2.8086	3.7155	1.0842	3.0589	4.8831	3.3878	3.5459	5.0021	2.1587	3.7522	5.9221	3.8700	3.9636	5.9748	3.4028	3.1193	3.1193		3.4985	5.2472	4.2812	4.2441	5.4429	2.4830	4.5491	6.8944	4.9545	4.8578	6.9743	4.3003
H24	2.6960	2.4684	2.1500	4.1273	3.1757	3.3904	5.2101	3.5905	1.0859	4.6846	4.0263	3.8650	6.4800	4.6650	2.1506	6.0639	5.0046	3.3975	6.8460	5.2788	4.2812	5.2472	3.4985		4.2754	4.2754	4.9496	7.3457	5.2981	2.4749	6.6832	5.8245	4.2940	7.9140	6.2397
H25	2.6960	2.4684	3.1757	2.1500	4.1273	3.5905	3.3904	5.2101	4.0263	1.0859	4.6846	4.6650	3.8650	6.4800	5.0046	2.1506	6.0639	5.2788	3.3975	6.8460	3.4985	4.2812	5.2472	4.2754		4.2754	5.2981	4.9496	7.3457	5.8245	2.4749	6.6832	6.2397	4.2940	7.9140
H26	2.6960	2.4684	4.1273	3.1757	2.1500	5.2101	3.5905	3.3904	4.6846	4.0263	1.0859	6.4800	4.6650	3.8650	6.0639	5.0046	2.1506	6.8460	5.2788	3.3975	5.2472	3.4985	4.2812	4.2754	4.2754		7.3457	5.2981	4.9496	6.6832	5.8245	2.4749	7.9140	6.2397	4.2940
H27	4.7029	5.4353	3.4006	4.8818	5.4965	2.1494	5.2789	5.2019	3.8638	5.2066	6.8759	1.0846	5.9256	6.3894	3.3942	5.8659	7.8129	2.1514	6.2003	7.6059	2.4830	5.4429	4.2441	4.9496	5.2981	7.3457		6.5134	6.5134	4.2929	6.4164	8.8570	2.4814	6.9538	8.5295
H28	4.7029	5.4353	5.4965	3.4006	4.8818	5.2019	2.1494	5.2789	6.8759	3.8638	5.2066	6.3894	1.0846	5.9256	7.8129	3.3942	5.8659	7.6059	2.1514	6.2003	4.2441	2.4830	5.4429	7.3457	4.9496	5.2981	6.5134		6.5134	8.8570	4.2929	6.4164	8.5295	2.4814	6.9538
H29	4.7029	5.4353	4.8818	5.4965	3.4006	5.2789	5.2019	2.1494	5.2066	6.8759	3.8638	5.9256	6.3894	1.0846	5.8659	7.8129	3.3942	6.2003	7.6059	2.1514	5.4429	4.2441	2.4830	5.2981	7.3457	4.9496	6.5134	6.5134		6.4164	8.8570	4.2929	6.9538	8.5295	2.4814
H30	4.6671	4.7083	3.4050	5.8783	5.2149	3.8705	6.8672	5.1284	2.1485	6.2903	6.2991	3.3940	8.0342	6.1475	1.0845	7.5470	7.1500	2.1539	8.3384	7.0866	4.9545	6.8944	4.5491	2.4749	5.8245	6.6832	4.2929	8.8570	6.4164		8.0576	8.0576	2.4836	9.3436	7.9564
H31	4.6671	4.7083	5.2149	3.4050	5.8783	5.1284	3.8705	6.8672	6.2991	2.1485	6.2903	6.1475	3.3940	8.0342	7.1500	1.0845	7.5470	7.0866	2.1539	8.3384	4.5491	4.9545	6.8944	6.6832	2.4749	5.8245	6.4164	4.2929	8.8570	8.0576		8.0576	7.9564	2.4836	9.3436
H32	4.6671	4.7083	5.8783	5.2149	3.4050	6.8672	5.1284	3.8705	6.2903	6.2991	2.1485	8.0342	6.1475	3.3940	7.5470	7.1500	1.0845	8.3384	7.0866	2.1539	6.8944	4.5491	4.9545	5.8245	6.6832	2.4749	8.8570	6.4164	4.2929	8.0576	8.0576		9.3436	7.9564	2.4836
H33	5.4116	5.8305	3.8877	6.1677	6.1098	3.4011	6.8989	5.7813	3.3965	6.5003	7.4372	2.1528	7.8225	6.8816	2.1546	7.4757	8.3195	1.0843	8.0881	8.0792	4.3003	6.9743	4.8578	4.2940	6.2397	7.9140	2.4814	8.5295	6.9538	2.4836	7.9564	9.3436		8.9594	8.9594
H34	5.4116	5.8305	6.1098	3.8877	6.1677	5.7813	3.4011	6.8989	7.4372	3.3965	6.5003	6.8816	2.1528	7.8225	8.3195	2.1546	7.4757	8.0792	1.0843	8.0881	4.8578	4.3003	6.9743	7.9140	4.2940	6.2397	6.9538	2.4814	8.5295	9.3436	2.4836	7.9564	8.9594		8.9594
H35	5.4116	5.8305	6.1677	6.1098	3.8877	6.8989	5.7813	3.4011	6.5003	7.4372	3.3965	7.8225	6.8816	2.1528	7.4757	8.3195	2.1546	8.0881	8.0792	1.0843	6.9743	4.8578	4.3003	6.2397	7.9140	4.2940	8.5295	6.9538	2.4814	7.9564	9.3436	2.4836	8.9594	8.9594

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.039	C1	C3	C9	118.945
C1	C4	C7	122.039	C1	C4	C10	118.945
C1	C5	C8	122.039	C1	C5	C11	118.945
H2	C1	C3	107.380	H2	C1	C4	107.380
H2	C1	C5	107.380	C3	C1	C4	111.479
C3	C1	C5	111.479	C3	C6	C12	120.364
C3	C6	H21	119.072	C3	C9	C15	120.709
C3	C9	H24	119.289	C4	C1	C5	111.479
C4	C7	C13	120.364	C4	C7	H22	119.072
C4	C10	C16	120.709	C4	C10	H25	119.289
C5	C8	C14	120.364	C5	C8	H23	119.072
C5	C11	C17	120.709	C5	C11	H26	119.289
C6	C3	C9	118.994	C6	C12	C18	120.301
C6	C12	H27	119.647	C7	C4	C10	118.994
C7	C13	C19	120.301	C7	C13	H28	119.647
C8	C5	C11	118.994	C8	C14	C20	120.301
C8	C14	H29	119.647	C9	C15	C18	120.013
C9	C15	H30	119.904	C10	C16	C19	120.013
C10	C16	H31	119.904	C11	C17	C20	120.013
C11	C17	H32	119.904	C12	C5	H21	26.748
C12	C18	C15	119.618	C12	C18	H33	120.214
C13	C7	H22	120.560	C13	C19	C16	119.618
C13	C19	H34	120.214	C14	C8	H23	120.560
C14	C20	C17	119.618	C14	C20	H35	120.214
C15	C9	H24	120.001	C15	C18	H33	120.167
C16	C10	H25	120.001	C16	C19	H34	120.167
C17	C11	H26	120.001	C17	C20	H35	120.167
C18	C12	H27	120.051	C18	C15	H30	120.082
C19	C13	H28	120.051	C19	C16	H31	120.082
C20	C14	H29	120.051	C20	C17	H32	120.082

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at HSEh1PBE/3-21G Charges (e)

Number	Element	Mulliken
1	C	-0.450
2	H	0.244
3	C	0.035
4	C	0.035
5	C	0.035
6	C	-0.222
7	C	-0.222
8	C	-0.222
9	C	-0.200
10	C	-0.200
11	C	-0.200
12	C	-0.219
13	C	-0.219
14	C	-0.219
15	C	-0.220
16	C	-0.220
17	C	-0.220
18	C	-0.221
19	C	-0.221
20	C	-0.221
21	H	0.241
22	H	0.241
23	H	0.241
24	H	0.218
25	H	0.218
26	H	0.218
27	H	0.219
28	H	0.219
29	H	0.219
30	H	0.219
31	H	0.219
32	H	0.219
33	H	0.218
34	H	0.218
35	H	0.218

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	-0.002	0.002
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-104.886	0.000	0.000
y	0.000	-104.886	0.000
z	0.000	0.000	-105.232

Traceless
	x	y	z
x	0.173	0.000	0.000
y	0.000	0.173	0.000
z	0.000	0.000	-0.346

Polar
3z²-r²	-0.692
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	27.682	-0.001	0.000
y	-0.001	27.682	0.000
z	0.000	0.000	20.453

<r²> (average value of r²) Å²

<r²>	1378.320
(<r²>)^1/2	37.126

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: HSEh1PBE/3-21G

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: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)