CCCBDB calculation results Page

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

Energy calculated at M06-2X/6-31+G**

	hartrees
Energy at 0K	-733.384122
Energy at 298.15K
HF Energy	-733.384122
Nuclear repulsion energy	1285.570067

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 M06-2X/6-31+G**

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3238	3084	0.61
2	A	3226	3072	30.89
3	A	3220	3066	1.57
4	A	3209	3056	0.47
5	A	3195	3042	8.06
6	A	3044	2899	7.93
7	A	1697	1616	0.00
8	A	1670	1590	2.31
9	A	1551	1477	0.98
10	A	1498	1426	10.74
11	A	1367	1301	1.36
12	A	1335	1271	0.78
13	A	1217	1159	0.58
14	A	1207	1149	0.11
15	A	1186	1129	0.00
16	A	1124	1071	11.94
17	A	1070	1019	0.12
18	A	1025	976	0.00
19	A	1019	970	0.07
20	A	1007	959	0.06
21	A	956	910	0.74
22	A	879	837	0.04
23	A	844	803	6.10
24	A	752	716	38.99
25	A	719	685	31.49
26	A	671	639	4.83
27	A	630	600	0.97
28	A	476	454	3.86
29	A	415	395	0.02
30	A	274	261	0.10
31	A	225	214	0.34
32	A	94	89	0.31
33	A	45	43	0.00
34	E	3238	3083	27.55
34	E	3238	3083	27.36
35	E	3226	3072	10.60
35	E	3226	3072	10.54
36	E	3220	3066	1.68
36	E	3220	3066	1.64
37	E	3209	3056	0.96
37	E	3209	3056	0.93
38	E	3195	3042	5.28
38	E	3195	3042	5.27
39	E	1692	1611	13.51
39	E	1692	1611	13.48
40	E	1674	1594	0.36
40	E	1674	1594	0.37
41	E	1552	1478	22.34
41	E	1552	1478	22.21
42	E	1505	1433	6.47
42	E	1505	1433	6.45
43	E	1371	1306	0.05
43	E	1371	1306	0.05
44	E	1365	1300	2.06
44	E	1365	1300	2.18
45	E	1304	1241	2.47
45	E	1303	1241	2.61
46	E	1226	1168	0.88
46	E	1226	1167	1.03
47	E	1215	1157	1.16
47	E	1215	1157	1.09
48	E	1186	1129	0.02
48	E	1186	1129	0.02
49	E	1122	1068	0.82
49	E	1122	1068	0.80
50	E	1074	1022	7.88
50	E	1074	1022	7.97
51	E	1025	976	0.02
51	E	1025	976	0.02
52	E	1018	970	1.39
52	E	1018	970	1.44
53	E	1006	958	0.07
53	E	1006	958	0.07
54	E	953	907	1.39
54	E	953	907	1.38
55	E	892	849	1.21
55	E	892	849	1.21
56	E	875	834	0.14
56	E	875	834	0.14
57	E	779	741	31.52
57	E	779	741	31.62
58	E	719	684	37.90
58	E	719	684	37.78
59	E	634	604	2.90
59	E	634	604	2.90
60	E	617	588	11.35
60	E	617	588	11.42
61	E	505	481	4.50
61	E	505	481	4.42
62	E	411	391	0.20
62	E	411	391	0.21
63	E	309	294	0.49
63	E	309	294	0.49
64	E	237	225	0.50
64	E	237	225	0.50
65	E	67	64	0.16
65	E	67	64	0.16
66	E	28	26	0.03
66	E	28	26	0.03

Unscaled Zero Point Vibrational Energy (zpe) 64487.7 cm^-1
Scaled (by 0.9522) Zero Point Vibrational Energy (zpe) 61405.2 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 M06-2X/6-31+G**

A	B	C
0.01307	0.01307	0.00757

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

Geometric Data calculated at M06-2X/6-31+G**

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.757
H2	0.000	0.000	1.856
C3	0.000	1.464	0.335
C4	1.268	-0.732	0.335
C5	-1.268	-0.732	0.335
C6	0.734	1.943	-0.751
C7	1.315	-1.607	-0.751
C8	-2.050	-0.335	-0.751
C9	-0.809	2.358	1.046
C10	2.447	-0.478	1.046
C11	-1.637	-1.880	1.046
C12	0.656	3.287	-1.121
C13	2.519	-2.212	-1.121
C14	-3.175	-1.075	-1.121
C15	-0.887	3.698	0.682
C16	3.646	-1.081	0.682
C17	-2.759	-2.617	0.682
C18	-0.152	4.168	-0.407
C19	3.686	-1.952	-0.407
C20	-3.533	-2.216	-0.407
H21	1.375	1.265	-1.309
H22	0.408	-1.823	-1.309
H23	-1.783	0.558	-1.309
H24	-1.389	1.990	1.890
H25	2.418	0.208	1.890
H26	-1.029	-2.198	1.890
H27	1.233	3.645	-1.969
H28	2.540	-2.890	-1.969
H29	-3.773	-0.755	-1.969
H30	-1.518	4.377	1.249
H31	4.549	-0.874	1.249
H32	-3.031	-3.503	1.249
H33	-0.208	5.213	-0.694
H34	4.619	-2.426	-0.694
H35	-4.411	-2.787	-0.694

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	1.5237	1.5237	1.5237	2.5666	2.5666	2.5666	2.5096	2.5096	2.5096	3.8421	3.8421	3.8421	3.8039	3.8039	3.8039	4.3301	4.3301	4.3301	2.7852	2.7852	2.7852	2.6786	2.6786	2.6786	4.7151	4.7151	4.7151	4.6583	4.6583	4.6583	5.4155	5.4155	5.4155
H2	1.0988		2.1109	2.1109	2.1109	3.3330	3.3330	3.3330	2.6212	2.6212	2.6212	4.4828	4.4828	4.4828	3.9801	3.9801	3.9801	4.7451	4.7451	4.7451	3.6749	3.6749	3.6749	2.4275	2.4275	2.4275	5.4248	5.4248	5.4248	4.6719	4.6719	4.6719	5.8072	5.8072	5.8072
C3	1.5237	2.1109		2.5361	2.5361	1.3958	3.5135	2.9359	1.3994	3.2037	3.7905	2.4236	4.6880	4.3185	2.4286	4.4604	4.9389	2.8079	5.0800	5.1555	2.1524	3.6980	2.5889	2.1502	3.1373	4.1097	3.4032	5.5424	4.9462	3.4088	5.1958	5.8902	3.8934	6.1263	6.2119
C4	1.5237	2.1109	2.5361		2.5361	2.9359	1.3958	3.5135	3.7905	1.3994	3.2037	4.3185	2.4236	4.6880	4.9389	2.4286	4.4604	5.1555	2.8079	5.0800	2.5889	2.1524	3.6980	4.1097	2.1502	3.1373	4.9462	3.4032	5.5424	5.8902	3.4088	5.1958	6.2119	3.8934	6.1263
C5	1.5237	2.1109	2.5361	2.5361		3.5135	2.9359	1.3958	3.2037	3.7905	1.3994	4.6880	4.3185	2.4236	4.4604	4.9389	2.4286	5.0800	5.1555	2.8079	3.6980	2.5889	2.1524	3.1373	4.1097	2.1502	5.5424	4.9462	3.4032	5.1958	5.8902	3.4088	6.1263	6.2119	3.8934
C6	2.5666	3.3330	1.3958	2.9359	3.5135		3.5973	3.5973	2.4050	3.4672	4.8441	1.3966	4.5365	4.9525	2.7867	4.4359	5.9207	2.4200	4.8986	5.9688	1.0865	3.8207	2.9265	3.3891	3.5803	5.2184	2.1511	5.3007	5.3919	3.8724	5.1463	6.9161	3.4044	5.8465	6.9891
C7	2.5666	3.3330	3.5135	1.3958	2.9359	3.5973		3.5973	4.8441	2.4050	3.4672	4.9525	1.3966	4.5365	5.9207	2.7867	4.4359	5.9688	2.4200	4.8986	2.9265	1.0865	3.8207	5.2184	3.3891	3.5803	5.3919	2.1511	5.3007	6.9161	3.8724	5.1463	6.9891	3.4044	5.8465
C8	2.5666	3.3330	2.9359	3.5135	1.3958	3.5973	3.5973		3.4672	4.8441	2.4050	4.5365	4.9525	1.3966	4.4359	5.9207	2.7867	4.8986	5.9688	2.4200	3.8207	2.9265	1.0865	3.5803	5.2184	3.3891	5.3007	5.3919	2.1511	5.1463	6.9161	3.8724	5.8465	6.9891	3.4044
C9	2.5096	2.6212	1.3994	3.7905	3.2037	2.4050	4.8441	3.4672		4.3178	4.3178	2.7758	6.0541	4.6988	1.3910	5.6400	5.3561	2.4122	6.3946	5.5184	3.3925	4.9504	3.1197	1.0880	3.9688	4.6390	3.8616	6.9170	5.2495	2.1490	6.2607	6.2711	3.3973	7.4418	6.5169
C10	2.5096	2.6212	3.2037	1.3994	3.7905	3.4672	2.4050	4.8441	4.3178		4.3178	4.6988	2.7758	6.0541	5.3561	1.3910	5.6400	5.5184	2.4122	6.3946	3.1197	3.3925	4.9504	4.6390	1.0880	3.9688	5.2495	3.8616	6.9170	6.2711	2.1490	6.2607	6.5169	3.3973	7.4418
C11	2.5096	2.6212	3.7905	3.2037	1.3994	4.8441	3.4672	2.4050	4.3178	4.3178		6.0541	4.6988	2.7758	5.6400	5.3561	1.3910	6.3946	5.5184	2.4122	4.9504	3.1197	3.3925	3.9688	4.6390	1.0880	6.9170	5.2495	3.8616	6.2608	6.2711	2.1490	7.4418	6.5169	3.3973
C12	3.8421	4.4828	2.4236	4.3185	4.6880	1.3966	4.9525	4.5365	2.7758	4.6988	6.0541		5.8058	5.8058	2.4086	5.5924	7.0554	1.3923	6.0939	6.9530	2.1544	5.1196	3.6649	3.8638	4.6530	6.4803	1.0858	6.5135	6.0556	3.3952	6.1713	8.0818	2.1541	6.9664	7.9217
C13	3.8421	4.4828	4.6880	2.4236	4.3185	4.5365	1.3966	4.9525	6.0541	2.7758	4.6988	5.8058		5.8058	7.0554	2.4086	5.5924	6.9530	1.3923	6.0939	3.6649	2.1544	5.1196	6.4803	3.8638	4.6530	6.0556	1.0858	6.5135	8.0818	3.3952	6.1713	7.9217	2.1541	6.9664
C14	3.8421	4.4828	4.3185	4.6880	2.4236	4.9525	4.5365	1.3966	4.6988	6.0541	2.7758	5.8058	5.8058		5.5924	7.0554	2.4086	6.0939	6.9530	1.3923	5.1196	3.6649	2.1544	4.6530	6.4803	3.8638	6.5135	6.0556	1.0858	6.1713	8.0818	3.3952	6.9664	7.9217	2.1541
C15	3.8039	3.9801	2.4286	4.9389	4.4604	2.7867	5.9207	4.4359	1.3910	5.3561	5.6400	2.4086	7.0554	5.5924		6.5873	6.5873	1.3954	7.3499	6.5704	3.8732	6.0106	3.8248	2.1511	4.9563	6.0207	3.3946	7.8853	5.9317	1.0857	7.1257	7.5349	2.1564	8.3499	7.5082
C16	3.8039	3.9801	4.4604	2.4286	4.9389	4.4359	2.7867	5.9207	5.6400	1.3910	5.3561	5.5924	2.4086	7.0554	6.5873		6.5873	6.5704	1.3954	7.3499	3.8248	3.8732	6.0106	6.0207	2.1511	4.9563	5.9317	3.3946	7.8853	7.5349	1.0857	7.1257	7.5082	2.1564	8.3499
C17	3.8039	3.9801	4.9389	4.4604	2.4286	5.9207	4.4359	2.7867	5.3561	5.6400	1.3910	7.0554	5.5924	2.4086	6.5873	6.5873		7.3499	6.5704	1.3954	6.0106	3.8248	3.8732	4.9563	6.0207	2.1511	7.8853	5.9317	3.3946	7.1257	7.5349	1.0857	8.3499	7.5082	2.1564
C18	4.3301	4.7451	2.8079	5.1555	5.0800	2.4200	5.9688	4.8986	2.4122	5.5184	6.3946	1.3923	6.9530	6.0939	1.3954	6.5704	7.3499		7.2238	7.2238	3.4019	6.0842	4.0622	3.3982	5.2503	6.8245	2.1518	7.7137	6.3068	2.1564	7.0899	8.3588	1.0855	8.1445	8.1602
C19	4.3301	4.7451	5.0800	2.8079	5.1555	4.8986	2.4200	5.9688	6.3946	2.4122	5.5184	6.0939	1.3923	6.9530	7.3499	1.3954	6.5704	7.2238		7.2238	4.0622	3.4019	6.0842	6.8245	3.3982	5.2503	6.3068	2.1518	7.7137	8.3588	2.1564	7.0899	8.1602	1.0855	8.1445
C20	4.3301	4.7451	5.1555	5.0800	2.8079	5.9688	4.8986	2.4200	5.5184	6.3946	2.4122	6.9530	6.0939	1.3923	6.5704	7.3499	1.3954	7.2238	7.2238		6.0842	4.0622	3.4019	5.2503	6.8245	3.3982	7.7137	6.3068	2.1518	7.0899	8.3588	2.1564	8.1445	8.1602	1.0855
H21	2.7852	3.6749	2.1524	2.5889	3.6980	1.0865	2.9265	3.8207	3.3925	3.1197	4.9504	2.1544	3.6649	5.1196	3.8732	3.8248	6.0106	3.4019	4.0622	6.0842		3.2356	3.2356	4.2892	3.5267	5.2918	2.4736	4.3654	5.5687	4.9589	4.6036	6.9775	4.2983	4.9526	7.0900
H22	2.7852	3.6749	3.6980	2.1524	2.5889	3.8207	1.0865	2.9265	4.9504	3.3925	3.1197	5.1196	2.1544	3.6649	6.0106	3.8732	3.8248	6.0842	3.4019	4.0622	3.2356		3.2356	5.2918	4.2892	3.5267	5.5687	2.4736	4.3654	6.9775	4.9589	4.6036	7.0900	4.2983	4.9526
H23	2.7852	3.6749	2.5889	3.6980	2.1524	2.9265	3.8207	1.0865	3.1197	4.9504	3.3925	3.6649	5.1196	2.1544	3.8248	6.0106	3.8732	4.0622	6.0842	3.4019	3.2356	3.2356		3.5267	5.2918	4.2892	4.3654	5.5687	2.4736	4.6036	6.9775	4.9589	4.9526	7.0900	4.2983
H24	2.6786	2.4275	2.1502	4.1097	3.1373	3.3891	5.2184	3.5803	1.0880	4.6390	3.9688	3.8638	6.4803	4.6530	2.1511	6.0207	4.9563	3.3982	6.8245	5.2503	4.2892	5.2918	3.5267		4.2042	4.2042	4.9496	7.3582	5.3011	2.4741	6.6242	5.7690	4.2962	7.8919	6.2152
H25	2.6786	2.4275	3.1373	2.1502	4.1097	3.5803	3.3891	5.2184	3.9688	1.0880	4.6390	4.6530	3.8638	6.4803	4.9563	2.1511	6.0207	5.2503	3.3982	6.8245	3.5267	4.2892	5.2918	4.2042		4.2042	5.3011	4.9496	7.3582	5.7690	2.4741	6.6242	6.2152	4.2962	7.8919
H26	2.6786	2.4275	4.1097	3.1373	2.1502	5.2184	3.5803	3.3891	4.6390	3.9688	1.0880	6.4803	4.6530	3.8638	6.0207	4.9563	2.1511	6.8245	5.2503	3.3982	5.2918	3.5267	4.2892	4.2042	4.2042		7.3582	5.3011	4.9496	6.6242	5.7690	2.4741	7.8919	6.2152	4.2962
H27	4.7151	5.4248	3.4032	4.9462	5.5424	2.1511	5.3919	5.3007	3.8616	5.2495	6.9170	1.0858	6.0556	6.5135	3.3946	5.9317	7.8853	2.1518	6.3068	7.7137	2.4736	5.5687	4.3654	4.9496	5.3011	7.3582		6.6642	6.6642	4.2956	6.4626	8.9230	2.4825	7.0673	8.6512
H28	4.7151	5.4248	5.5424	3.4032	4.9462	5.3007	2.1511	5.3919	6.9170	3.8616	5.2495	6.5135	1.0858	6.0556	7.8853	3.3946	5.9317	7.7137	2.1518	6.3068	4.3654	2.4736	5.5687	7.3582	4.9496	5.3011	6.6642		6.6642	8.9230	4.2956	6.4626	8.6512	2.4825	7.0673
H29	4.7151	5.4248	4.9462	5.5424	3.4032	5.3919	5.3007	2.1511	5.2495	6.9170	3.8616	6.0556	6.5135	1.0858	5.9317	7.8853	3.3946	6.3068	7.7137	2.1518	5.5687	4.3654	2.4736	5.3011	7.3582	4.9496	6.6642	6.6642		6.4626	8.9230	4.2956	7.0673	8.6512	2.4825
H30	4.6583	4.6719	3.4088	5.8902	5.1958	3.8724	6.9161	5.1463	2.1490	6.2711	6.2608	3.3952	8.0818	6.1713	1.0857	7.5349	7.1257	2.1564	8.3588	7.0899	4.9589	6.9775	4.6036	2.4741	5.7690	6.6242	4.2956	8.9230	6.4626		8.0234	8.0234	2.4877	9.3655	7.9664
H31	4.6583	4.6719	5.1958	3.4088	5.8902	5.1463	3.8724	6.9161	6.2607	2.1490	6.2711	6.1713	3.3952	8.0818	7.1257	1.0857	7.5349	7.0899	2.1564	8.3588	4.6036	4.9589	6.9775	6.6242	2.4741	5.7690	6.4626	4.2956	8.9230	8.0234		8.0234	7.9664	2.4877	9.3655
H32	4.6583	4.6719	5.8902	5.1958	3.4088	6.9161	5.1463	3.8724	6.2711	6.2607	2.1490	8.0818	6.1713	3.3952	7.5349	7.1257	1.0857	8.3588	7.0899	2.1564	6.9775	4.6036	4.9589	5.7690	6.6242	2.4741	8.9230	6.4626	4.2956	8.0234	8.0234		9.3655	7.9664	2.4877
H33	5.4155	5.8072	3.8934	6.2119	6.1263	3.4044	6.9891	5.8465	3.3973	6.5169	7.4418	2.1541	7.9217	6.9664	2.1564	7.5082	8.3499	1.0855	8.1602	8.1445	4.2983	7.0900	4.9526	4.2962	6.2152	7.8919	2.4825	8.6512	7.0673	2.4877	7.9664	9.3655		9.0371	9.0371
H34	5.4155	5.8072	6.1263	3.8934	6.2119	5.8465	3.4044	6.9891	7.4418	3.3973	6.5169	6.9664	2.1541	7.9217	8.3499	2.1564	7.5082	8.1445	1.0855	8.1602	4.9526	4.2983	7.0900	7.8919	4.2962	6.2152	7.0673	2.4825	8.6512	9.3655	2.4877	7.9664	9.0371		9.0371
H35	5.4155	5.8072	6.2119	6.1263	3.8934	6.9891	5.8465	3.4044	6.5169	7.4418	3.3973	7.9217	6.9664	2.1541	7.5082	8.3499	2.1564	8.1602	8.1445	1.0855	7.0900	4.9526	4.2983	6.2152	7.8919	4.2962	8.6512	7.0673	2.4825	7.9664	9.3655	2.4877	9.0371	9.0371

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	123.009	C1	C3	C9	118.238
C1	C4	C7	123.009	C1	C4	C10	118.238
C1	C5	C8	123.009	C1	C5	C11	118.238
H2	C1	C3	106.067	H2	C1	C4	106.067
H2	C1	C5	106.067	C3	C1	C4	112.650
C3	C1	C5	112.650	C3	C6	C12	120.433
C3	C6	H21	119.721	C3	C9	C15	120.998
C3	C9	H24	119.105	C4	C1	C5	112.650
C4	C7	C13	120.433	C4	C7	H22	119.721
C4	C10	C16	120.998	C4	C10	H25	119.105
C5	C8	C14	120.433	C5	C8	H23	119.721
C5	C11	C17	120.998	C5	C11	H26	119.105
C6	C3	C9	118.719	C6	C12	C18	120.386
C6	C12	H27	119.595	C7	C4	C10	118.719
C7	C13	C19	120.386	C7	C13	H28	119.595
C8	C5	C11	118.719	C8	C14	C20	120.386
C8	C14	H29	119.595	C9	C15	C18	119.928
C9	C15	H30	119.877	C10	C16	C19	119.928
C10	C16	H31	119.877	C11	C17	C20	119.928
C11	C17	H32	119.877	C12	C5	H21	26.568
C12	C18	C15	119.537	C12	C18	H33	120.253
C13	C7	H22	119.845	C13	C19	C16	119.537
C13	C19	H34	120.253	C14	C8	H23	119.845
C14	C20	C17	119.537	C14	C20	H35	120.253
C15	C9	H24	119.896	C15	C18	H33	120.210
C16	C10	H25	119.896	C16	C19	H34	120.210
C17	C11	H26	119.896	C17	C20	H35	120.210
C18	C12	H27	120.019	C18	C15	H30	120.195
C19	C13	H28	120.019	C19	C16	H31	120.195
C20	C14	H29	120.019	C20	C17	H32	120.195

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at M06-2X/6-31+G** Charges (e)

Number	Element	Mulliken
1	C	-0.650
2	H	0.159
3	C	-0.158
4	C	-0.158
5	C	-0.158
6	C	-0.150
7	C	-0.150
8	C	-0.150
9	C	0.018
10	C	0.018
11	C	0.018
12	C	-0.139
13	C	-0.139
14	C	-0.139
15	C	-0.096
16	C	-0.096
17	C	-0.096
18	C	-0.081
19	C	-0.081
20	C	-0.081
21	H	0.163
22	H	0.163
23	H	0.163
24	H	0.147
25	H	0.147
26	H	0.147
27	H	0.153
28	H	0.153
29	H	0.153
30	H	0.154
31	H	0.154
32	H	0.154
33	H	0.152
34	H	0.152
35	H	0.152

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	0.012	0.012
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-107.045	0.000	0.000
y	0.000	-107.045	0.000
z	0.000	0.000	-107.898

Traceless
	x	y	z
x	0.426	0.000	0.000
y	0.000	0.426	0.000
z	0.000	0.000	-0.852

Polar
3z²-r²	-1.705
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	33.765	-0.016	-0.016
y	-0.016	33.769	0.044
z	-0.016	0.044	25.866

<r²> (average value of r²) Å²

<r²>	1395.764
(<r²>)^1/2	37.360

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: M06-2X/6-31+G**

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: M06-2X/6-31+G**

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)