CCCBDB calculation results Page

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

Energy calculated at HSEh1PBE/6-31G**

	hartrees
Energy at 0K	-732.872171
Energy at 298.15K
HF Energy	-732.872171
Nuclear repulsion energy	1285.525288

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/6-31G**

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3230	3083	3.91
2	A	3221	3074	24.52
3	A	3213	3066	23.49
4	A	3203	3057	0.02
5	A	3194	3048	5.68
6	A	3047	2908	9.63
7	A	1688	1611	0.00
8	A	1661	1585	2.91
9	A	1545	1474	1.36
10	A	1495	1427	12.13
11	A	1382	1319	0.10
12	A	1343	1282	2.27
13	A	1211	1156	0.40
14	A	1202	1147	0.00
15	A	1186	1132	0.03
16	A	1118	1067	12.29
17	A	1066	1018	0.20
18	A	1021	974	0.06
19	A	1005	959	0.03
20	A	983	938	0.01
21	A	941	898	1.00
22	A	867	827	0.00
23	A	840	801	2.88
24	A	750	716	24.14
25	A	720	687	22.21
26	A	674	643	3.39
27	A	631	602	0.47
28	A	478	456	2.25
29	A	418	399	0.01
30	A	272	260	0.08
31	A	216	206	0.46
32	A	89	85	0.20
33	A	42	40	0.00
34	E	3230	3082	29.15
34	E	3230	3082	29.15
35	E	3221	3074	16.46
35	E	3221	3074	16.44
36	E	3213	3066	6.53
36	E	3213	3066	6.53
37	E	3203	3057	0.00
37	E	3203	3057	0.00
38	E	3193	3048	5.59
38	E	3193	3048	5.59
39	E	1682	1606	11.62
39	E	1682	1606	11.62
40	E	1665	1589	0.54
40	E	1665	1589	0.54
41	E	1545	1475	23.41
41	E	1545	1475	23.41
42	E	1501	1433	5.43
42	E	1501	1433	5.43
43	E	1393	1329	2.02
43	E	1393	1329	2.02
44	E	1364	1301	0.05
44	E	1364	1301	0.05
45	E	1295	1236	3.00
45	E	1295	1236	3.00
46	E	1224	1168	0.99
46	E	1224	1168	0.99
47	E	1208	1153	2.10
47	E	1208	1153	2.10
48	E	1187	1133	0.04
48	E	1187	1133	0.04
49	E	1115	1064	0.67
49	E	1115	1064	0.67
50	E	1069	1020	7.96
50	E	1069	1020	7.96
51	E	1021	974	2.19
51	E	1021	974	2.19
52	E	1004	958	0.04
52	E	1004	958	0.04
53	E	981	936	0.04
53	E	981	936	0.04
54	E	939	897	1.77
54	E	939	897	1.76
55	E	888	847	0.85
55	E	887	847	0.85
56	E	864	825	0.01
56	E	864	825	0.01
57	E	774	739	19.57
57	E	774	739	19.57
58	E	719	686	33.56
58	E	719	686	33.56
59	E	635	606	3.14
59	E	635	606	3.14
60	E	618	590	13.13
60	E	618	590	13.13
61	E	506	483	3.02
61	E	506	483	3.02
62	E	415	396	0.23
62	E	415	396	0.23
63	E	301	287	0.61
63	E	301	287	0.61
64	E	234	223	0.63
64	E	234	223	0.63
65	E	64	61	0.10
65	E	64	61	0.10
66	E	27	26	0.06
66	E	27	26	0.06

Unscaled Zero Point Vibrational Energy (zpe) 64272.0 cm^-1
Scaled (by 0.9543) Zero Point Vibrational Energy (zpe) 61334.7 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/6-31G**

A	B	C
0.01302	0.01302	0.00759

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

Geometric Data calculated at HSEh1PBE/6-31G**

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.749
H2	0.000	0.000	1.848
C3	0.000	1.464	0.331
C4	1.268	-0.732	0.331
C5	-1.268	-0.732	0.331
C6	0.702	1.928	-0.782
C7	1.318	-1.572	-0.782
C8	-2.021	-0.356	-0.782
C9	-0.757	2.377	1.072
C10	2.437	-0.534	1.072
C11	-1.681	-1.844	1.072
C12	0.646	3.272	-1.147
C13	2.510	-2.196	-1.147
C14	-3.157	-1.076	-1.147
C15	-0.811	3.719	0.713
C16	3.626	-1.157	0.713
C17	-2.815	-2.562	0.713
C18	-0.108	4.172	-0.402
C19	3.667	-1.992	-0.402
C20	-3.558	-2.180	-0.402
H21	1.306	1.235	-1.361
H22	0.416	-1.748	-1.361
H23	-1.722	0.513	-1.361
H24	-1.312	2.027	1.939
H25	2.412	0.123	1.939
H26	-1.099	-2.150	1.939
H27	1.201	3.615	-2.015
H28	2.530	-2.848	-2.015
H29	-3.732	-0.767	-2.015
H30	-1.401	4.413	1.305
H31	4.522	-0.993	1.305
H32	-3.121	-3.419	1.305
H33	-0.147	5.220	-0.684
H34	4.594	-2.483	-0.684
H35	-4.447	-2.737	-0.684

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		1.0988	1.5224	1.5224	1.5224	2.5605	2.5605	2.5605	2.5157	2.5157	2.5157	3.8366	3.8366	3.8366	3.8063	3.8063	3.8063	4.3288	4.3288	4.3288	2.7718	2.7718	2.7718	2.6918	2.6918	2.6918	4.7072	4.7072	4.7072	4.6631	4.6631	4.6631	5.4148	5.4148	5.4148
H2	1.0988		2.1082	2.1082	2.1082	3.3360	3.3360	3.3360	2.6129	2.6129	2.6129	4.4827	4.4827	4.4827	3.9719	3.9719	3.9719	4.7408	4.7408	4.7408	3.6780	3.6780	3.6780	2.4164	2.4164	2.4164	5.4260	5.4260	5.4260	4.6616	4.6616	4.6616	5.8031	5.8031	5.8031
C3	1.5224	2.1082		2.5353	2.5353	1.3956	3.4921	2.9382	1.3987	3.2370	3.7834	2.4231	4.6775	4.3129	2.4267	4.4902	4.9270	2.8072	5.0915	5.1453	2.1493	3.6539	2.5944	2.1505	3.1937	4.1052	3.4026	5.5227	4.9404	3.4071	5.2379	5.8768	3.8932	6.1405	6.2008
C4	1.5224	2.1082	2.5353		2.5353	2.9382	1.3956	3.4921	3.7834	1.3987	3.2370	4.3129	2.4231	4.6775	4.9270	2.4267	4.4902	5.1453	2.8072	5.0915	2.5944	2.1493	3.6539	4.1052	2.1505	3.1937	4.9404	3.4026	5.5227	5.8768	3.4071	5.2379	6.2008	3.8932	6.1405
C5	1.5224	2.1082	2.5353	2.5353		3.4921	2.9382	1.3956	3.2370	3.7834	1.3987	4.6775	4.3129	2.4231	4.4902	4.9270	2.4267	5.0915	5.1453	2.8072	3.6539	2.5944	2.1493	3.1937	4.1052	2.1505	5.5227	4.9404	3.4026	5.2379	5.8768	3.4071	6.1405	6.2008	3.8932
C6	2.5605	3.3360	1.3956	2.9382	3.4921		3.5540	3.5540	2.4017	3.5364	4.8315	1.3938	4.5175	4.9043	2.7808	4.5054	5.8961	2.4157	4.9293	5.9306	1.0862	3.7322	2.8659	3.3870	3.6857	5.2230	2.1488	5.2606	5.3335	3.8670	5.2422	6.8972	3.4008	5.8827	6.9488
C7	2.5605	3.3360	3.4921	1.3956	2.9382	3.5540		3.5540	4.8315	2.4017	3.5364	4.9043	1.3938	4.5175	5.8961	2.7808	4.5054	5.9306	2.4157	4.9293	2.8659	1.0862	3.7322	5.2230	3.3870	3.6857	5.3335	2.1488	5.2606	6.8972	3.8670	5.2422	6.9488	3.4008	5.8827
C8	2.5605	3.3360	2.9382	3.4921	1.3956	3.5540	3.5540		3.5364	4.8315	2.4017	4.5175	4.9043	1.3938	4.5054	5.8961	2.7808	4.9293	5.9306	2.4157	3.7322	2.8659	1.0862	3.6857	5.2230	3.3870	5.2606	5.3335	2.1488	5.2422	6.8972	3.8670	5.8827	6.9488	3.4008
C9	2.5157	2.6129	1.3987	3.7834	3.2370	2.4017	4.8315	3.5364		4.3213	4.3213	2.7734	6.0424	4.7552	1.3896	5.6416	5.3630	2.4105	6.3897	5.5488	3.3879	4.9309	3.2134	1.0877	3.9840	4.6223	3.8597	6.9023	5.3171	2.1476	6.2674	6.2650	3.3959	7.4383	6.5465
C10	2.5157	2.6129	3.2370	1.3987	3.7834	3.5364	2.4017	4.8315	4.3213		4.3213	4.7552	2.7734	6.0424	5.3630	1.3896	5.6416	5.5488	2.4105	6.3897	3.2134	3.3879	4.9309	4.6223	1.0877	3.9840	5.3171	3.8597	6.9023	6.2650	2.1476	6.2674	6.5465	3.3959	7.4383
C11	2.5157	2.6129	3.7834	3.2370	1.3987	4.8315	3.5364	2.4017	4.3213	4.3213		6.0424	4.7552	2.7734	5.6416	5.3630	1.3896	6.3897	5.5488	2.4105	4.9309	3.2134	3.3879	3.9840	4.6223	1.0877	6.9023	5.3171	3.8597	6.2674	6.2650	2.1476	7.4383	6.5465	3.3959
C12	3.8366	4.4827	2.4231	4.3129	4.6775	1.3938	4.9043	4.5175	2.7734	4.7552	6.0424		5.7769	5.7769	2.4047	5.6526	7.0337	1.3907	6.1145	6.9251	2.1521	5.0299	3.6421	3.8610	4.7493	6.4782	1.0863	6.4623	6.0198	3.3917	6.2632	8.0612	2.1533	6.9938	7.8907
C13	3.8366	4.4827	4.6775	2.4231	4.3129	4.5175	1.3938	4.9043	6.0424	2.7734	4.7552	5.7769		5.7769	7.0337	2.4047	5.6526	6.9251	1.3907	6.1145	3.6421	2.1521	5.0299	6.4782	3.8610	4.7493	6.0198	1.0863	6.4623	8.0612	3.3917	6.2632	7.8907	2.1533	6.9938
C14	3.8366	4.4827	4.3129	4.6775	2.4231	4.9043	4.5175	1.3938	4.7552	6.0424	2.7734	5.7769	5.7769		5.6526	7.0337	2.4047	6.1145	6.9251	1.3907	5.0299	3.6421	2.1521	4.7493	6.4782	3.8610	6.4623	6.0198	1.0863	6.2632	8.0612	3.3917	6.9938	7.8907	2.1533
C15	3.8063	3.9719	2.4267	4.9270	4.4902	2.7808	5.8961	4.5054	1.3896	5.3630	5.6416	2.4047	7.0337	5.6526		6.5924	6.5924	1.3932	7.3420	6.6015	3.8669	5.9743	3.9248	2.1484	4.9820	6.0021	3.3918	7.8570	6.0080	1.0863	7.1413	7.5260	2.1551	8.3439	7.5394
C16	3.8063	3.9719	4.4902	2.4267	4.9270	4.5054	2.7808	5.8961	5.6416	1.3896	5.3630	5.6526	2.4047	7.0337	6.5924		6.5924	6.6015	1.3932	7.3420	3.9248	3.8669	5.9743	6.0021	2.1484	4.9820	6.0080	3.3918	7.8570	7.5260	1.0863	7.1413	7.5394	2.1551	8.3439
C17	3.8063	3.9719	4.9270	4.4902	2.4267	5.8961	4.5054	2.7808	5.3630	5.6416	1.3896	7.0337	5.6526	2.4047	6.5924	6.5924		7.3420	6.6015	1.3932	5.9743	3.9248	3.8669	4.9820	6.0022	2.1484	7.8570	6.0080	3.3918	7.1413	7.5260	1.0863	8.3439	7.5394	2.1551
C18	4.3288	4.7408	2.8072	5.1453	5.0915	2.4157	5.9306	4.9293	2.4105	5.5488	6.3897	1.3907	6.9251	6.1145	1.3932	6.6015	7.3420		7.2277	7.2277	3.3979	6.0197	4.1116	3.3950	5.3124	6.8132	2.1514	7.6709	6.3343	2.1543	7.1436	8.3434	1.0860	8.1529	8.1626
C19	4.3288	4.7408	5.0915	2.8072	5.1453	4.9293	2.4157	5.9306	6.3897	2.4105	5.5488	6.1145	1.3907	6.9251	7.3420	1.3932	6.6015	7.2277		7.2277	4.1116	3.3979	6.0197	6.8132	3.3950	5.3124	6.3343	2.1514	7.6709	8.3434	2.1543	7.1436	8.1626	1.0860	8.1529
C20	4.3288	4.7408	5.1453	5.0915	2.8072	5.9306	4.9293	2.4157	5.5488	6.3897	2.4105	6.9251	6.1145	1.3907	6.6015	7.3420	1.3932	7.2277	7.2277		6.0197	4.1116	3.3979	5.3124	6.8132	3.3950	7.6709	6.3343	2.1514	7.1436	8.3434	2.1543	8.1529	8.1626	1.0860
H21	2.7718	3.6780	2.1493	2.5944	3.6539	1.0862	2.8659	3.7322	3.3879	3.2134	4.9309	2.1521	3.6421	5.0299	3.8669	3.9248	5.9743	3.3979	4.1116	6.0197		3.1123	3.1123	4.2860	3.6536	5.3036	2.4713	4.3124	5.4599	4.9531	4.7347	6.9546	4.2952	5.0089	7.0231
H22	2.7718	3.6780	3.6539	2.1493	2.5944	3.7322	1.0862	2.8659	4.9309	3.3879	3.2134	5.0299	2.1521	3.6421	5.9743	3.8669	3.9248	6.0197	3.3979	4.1116	3.1123		3.1123	5.3036	4.2860	3.6536	5.4599	2.4713	4.3124	6.9546	4.9531	4.7347	7.0231	4.2952	5.0089
H23	2.7718	3.6780	2.5944	3.6539	2.1493	2.8659	3.7322	1.0862	3.2134	4.9309	3.3879	3.6421	5.0299	2.1521	3.9248	5.9743	3.8669	4.1116	6.0197	3.3979	3.1123	3.1123		3.6536	5.3036	4.2860	4.3124	5.4599	2.4713	4.7347	6.9546	4.9531	5.0089	7.0231	4.2952
H24	2.6918	2.4164	2.1505	4.1052	3.1937	3.3870	5.2230	3.6857	1.0877	4.6223	3.9840	3.8610	6.4782	4.7493	2.1484	6.0021	4.9820	3.3950	6.8132	5.3124	4.2860	5.3036	3.6536		4.1823	4.1823	4.9473	7.3599	5.4129	2.4701	6.6001	5.7741	4.2928	7.8800	6.2770
H25	2.6918	2.4164	3.1937	2.1505	4.1052	3.6857	3.3870	5.2230	3.9840	1.0877	4.6223	4.7493	3.8610	6.4782	4.9820	2.1484	6.0022	5.3124	3.3950	6.8132	3.6536	4.2860	5.3036	4.1823		4.1823	5.4129	4.9473	7.3599	5.7740	2.4701	6.6001	6.2770	4.2928	7.8800
H26	2.6918	2.4164	4.1052	3.1937	2.1505	5.2230	3.6857	3.3870	4.6223	3.9840	1.0877	6.4782	4.7493	3.8610	6.0021	4.9820	2.1484	6.8132	5.3124	3.3950	5.3036	3.6536	4.2860	4.1823	4.1823		7.3599	5.4129	4.9473	6.6001	5.7741	2.4701	7.8800	6.2770	4.2928
H27	4.7072	5.4260	3.4026	4.9404	5.5227	2.1488	5.3335	5.2606	3.8597	5.3171	6.9023	1.0863	6.0198	6.4623	3.3918	6.0080	7.8570	2.1514	6.3343	7.6709	2.4713	5.4599	4.3124	4.9473	5.4129	7.3599		6.5988	6.5988	4.2932	6.5797	8.8995	2.4827	7.1041	8.6040
H28	4.7072	5.4260	5.5227	3.4026	4.9404	5.2606	2.1488	5.3335	6.9023	3.8597	5.3171	6.4623	1.0863	6.0198	7.8570	3.3918	6.0080	7.6709	2.1514	6.3343	4.3124	2.4713	5.4599	7.3599	4.9473	5.4129	6.5988		6.5988	8.8995	4.2932	6.5797	8.6040	2.4827	7.1041
H29	4.7072	5.4260	4.9404	5.5227	3.4026	5.3335	5.2606	2.1488	5.3171	6.9023	3.8597	6.0198	6.4623	1.0863	6.0080	7.8570	3.3918	6.3343	7.6709	2.1514	5.4599	4.3124	2.4713	5.4129	7.3599	4.9473	6.5988	6.5988		6.5797	8.8995	4.2932	7.1041	8.6040	2.4827
H30	4.6631	4.6616	3.4071	5.8768	5.2379	3.8670	6.8972	5.2422	2.1476	6.2650	6.2674	3.3917	8.0612	6.2632	1.0863	7.5260	7.1413	2.1543	8.3434	7.1436	4.9531	6.9546	4.7347	2.4701	5.7740	6.6001	4.2932	8.8995	6.5797		8.0191	8.0191	2.4856	9.3508	8.0221
H31	4.6631	4.6616	5.2379	3.4071	5.8768	5.2422	3.8670	6.8972	6.2674	2.1476	6.2650	6.2632	3.3917	8.0612	7.1413	1.0863	7.5260	7.1436	2.1543	8.3434	4.7347	4.9531	6.9546	6.6001	2.4701	5.7741	6.5797	4.2932	8.8995	8.0191		8.0191	8.0221	2.4856	9.3508
H32	4.6631	4.6616	5.8768	5.2379	3.4071	6.8972	5.2422	3.8670	6.2650	6.2674	2.1476	8.0612	6.2632	3.3917	7.5260	7.1413	1.0863	8.3434	7.1436	2.1543	6.9546	4.7347	4.9531	5.7741	6.6001	2.4701	8.8995	6.5797	4.2932	8.0191	8.0191		9.3508	8.0221	2.4856
H33	5.4148	5.8031	3.8932	6.2008	6.1405	3.4008	6.9488	5.8827	3.3959	6.5465	7.4383	2.1533	7.8907	6.9938	2.1551	7.5394	8.3439	1.0860	8.1626	8.1529	4.2952	7.0231	5.0089	4.2928	6.2770	7.8800	2.4827	8.6040	7.1041	2.4856	8.0221	9.3508		9.0442	9.0442
H34	5.4148	5.8031	6.1405	3.8932	6.2008	5.8827	3.4008	6.9488	7.4383	3.3959	6.5465	6.9938	2.1533	7.8907	8.3439	2.1551	7.5394	8.1529	1.0860	8.1626	5.0089	4.2952	7.0231	7.8800	4.2928	6.2770	7.1041	2.4827	8.6040	9.3508	2.4856	8.0221	9.0442		9.0442
H35	5.4148	5.8031	6.2008	6.1405	3.8932	6.9488	5.8827	3.4008	6.5465	7.4383	3.3959	7.8907	6.9938	2.1533	7.5394	8.3439	2.1551	8.1626	8.1529	1.0860	7.0231	5.0089	4.2952	6.2770	7.8800	4.2928	8.6040	7.1041	2.4827	8.0221	9.3508	2.4856	9.0442	9.0442

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.619	C1	C3	C9	118.844
C1	C4	C7	122.619	C1	C4	C10	118.844
C1	C5	C8	122.619	C1	C5	C11	118.844
H2	C1	C3	105.956	H2	C1	C4	105.956
H2	C1	C5	105.956	C3	C1	C4	112.746
C3	C1	C5	112.746	C3	C6	C12	120.612
C3	C6	H21	119.486	C3	C9	C15	120.990
C3	C9	H24	119.221	C4	C1	C5	112.746
C4	C7	C13	120.612	C4	C7	H22	119.486
C4	C10	C16	120.990	C4	C10	H25	119.221
C5	C8	C14	120.612	C5	C8	H23	119.486
C5	C11	C17	120.990	C5	C11	H26	119.221
C6	C3	C9	118.522	C6	C12	C18	120.351
C6	C12	H27	119.568	C7	C4	C10	118.522
C7	C13	C19	120.351	C7	C13	H28	119.568
C8	C5	C11	118.522	C8	C14	C20	120.351
C8	C14	H29	119.568	C9	C15	C18	120.040
C9	C15	H30	119.820	C10	C16	C19	120.040
C10	C16	H31	119.820	C11	C17	C20	120.040
C11	C17	H32	119.820	C12	C5	H21	26.473
C12	C18	C15	119.485	C12	C18	H33	120.276
C13	C7	H22	119.898	C13	C19	C16	119.485
C13	C19	H34	120.276	C14	C8	H23	119.898
C14	C20	C17	119.485	C14	C20	H35	120.276
C15	C9	H24	119.788	C15	C18	H33	120.239
C16	C10	H25	119.788	C16	C19	H34	120.239
C17	C11	H26	119.788	C17	C20	H35	120.239
C18	C12	H27	120.080	C18	C15	H30	120.141
C19	C13	H28	120.080	C19	C16	H31	120.141
C20	C14	H29	120.080	C20	C17	H32	120.141

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at HSEh1PBE/6-31G** Charges (e)

Number	Element	Mulliken
1	C	-0.279
2	H	0.138
3	C	0.076
4	C	0.076
5	C	0.076
6	C	-0.140
7	C	-0.140
8	C	-0.140
9	C	-0.130
10	C	-0.130
11	C	-0.130
12	C	-0.130
13	C	-0.130
14	C	-0.130
15	C	-0.126
16	C	-0.126
17	C	-0.126
18	C	-0.122
19	C	-0.122
20	C	-0.122
21	H	0.132
22	H	0.132
23	H	0.132
24	H	0.121
25	H	0.121
26	H	0.121
27	H	0.123
28	H	0.123
29	H	0.123
30	H	0.122
31	H	0.122
32	H	0.122
33	H	0.121
34	H	0.121
35	H	0.121

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	0.061	0.061
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-104.154	0.000	0.000
y	0.000	-104.154	0.000
z	0.000	0.000	-103.688

Traceless
	x	y	z
x	-0.233	0.000	0.000
y	0.000	-0.233	0.000
z	0.000	0.000	0.466

Polar
3z²-r²	0.931
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	29.907	0.000	0.000
y	0.000	29.907	0.000
z	0.000	0.000	22.680

<r²> (average value of r²) Å²

<r²>	1394.318
(<r²>)^1/2	37.341

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: HSEh1PBE/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: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)