CCCBDB calculation results Page

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

Energy calculated at PBE1PBE/6-31G**

	hartrees
Energy at 0K	-732.786671
Energy at 298.15K
HF Energy	-732.786671
Nuclear repulsion energy	1285.040610

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 PBE1PBE/6-31G**

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3237	3086	4.86
2	A	3229	3078	21.49
3	A	3220	3069	28.60
4	A	3210	3060	0.04
5	A	3201	3051	5.68
6	A	3048	2905	9.48
7	A	1693	1614	0.00
8	A	1666	1588	2.94
9	A	1553	1480	1.28
10	A	1502	1431	12.20
11	A	1385	1320	0.19
12	A	1351	1288	2.08
13	A	1218	1161	0.42
14	A	1205	1149	0.00
15	A	1193	1137	0.03
16	A	1123	1070	11.94
17	A	1070	1020	0.17
18	A	1023	975	0.05
19	A	1004	957	0.05
20	A	981	935	0.01
21	A	941	897	1.15
22	A	869	828	0.00
23	A	841	802	3.11
24	A	751	716	26.56
25	A	720	686	22.79
26	A	675	643	3.48
27	A	631	602	0.45
28	A	479	456	2.27
29	A	419	399	0.01
30	A	272	260	0.08
31	A	216	206	0.46
32	A	90	85	0.22
33	A	44	42	0.00
34	E	3237	3085	27.39
34	E	3237	3085	27.38
35	E	3229	3077	20.34
35	E	3229	3077	20.33
36	E	3220	3069	7.98
36	E	3220	3069	7.98
37	E	3210	3060	0.06
37	E	3210	3060	0.06
38	E	3201	3050	5.69
38	E	3201	3050	5.69
39	E	1688	1609	11.33
39	E	1688	1609	11.33
40	E	1671	1592	0.55
40	E	1671	1592	0.55
41	E	1553	1480	23.34
41	E	1553	1480	23.34
42	E	1509	1438	5.47
42	E	1509	1438	5.47
43	E	1396	1331	2.02
43	E	1396	1331	2.02
44	E	1373	1308	0.10
44	E	1373	1308	0.09
45	E	1302	1241	3.25
45	E	1302	1241	3.25
46	E	1232	1174	0.78
46	E	1232	1174	0.78
47	E	1216	1159	2.05
47	E	1216	1159	2.05
48	E	1194	1138	0.04
48	E	1194	1138	0.04
49	E	1120	1067	0.63
49	E	1120	1067	0.63
50	E	1072	1022	7.75
50	E	1072	1022	7.75
51	E	1022	974	2.23
51	E	1022	974	2.23
52	E	1003	956	0.06
52	E	1003	956	0.06
53	E	979	933	0.04
53	E	979	933	0.04
54	E	940	896	1.92
54	E	940	896	1.92
55	E	889	847	0.88
55	E	889	847	0.88
56	E	866	826	0.01
56	E	866	826	0.01
57	E	775	739	21.70
57	E	775	739	21.70
58	E	719	685	35.07
58	E	719	685	35.07
59	E	636	606	3.16
59	E	636	606	3.16
60	E	618	589	13.62
60	E	618	589	13.62
61	E	507	483	3.07
61	E	507	483	3.07
62	E	415	396	0.22
62	E	415	396	0.22
63	E	301	287	0.59
63	E	301	287	0.59
64	E	234	223	0.65
64	E	234	223	0.65
65	E	64	61	0.10
65	E	64	61	0.10
66	E	28	27	0.06
66	E	28	27	0.06

Unscaled Zero Point Vibrational Energy (zpe) 64446.1 cm^-1
Scaled (by 0.9531) Zero Point Vibrational Energy (zpe) 61423.6 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 PBE1PBE/6-31G**

A	B	C
0.01301	0.01301	0.00759

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

Geometric Data calculated at PBE1PBE/6-31G**

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.747
H2	0.000	0.000	1.847
C3	0.000	1.464	0.329
C4	1.268	-0.732	0.329
C5	-1.268	-0.732	0.329
C6	0.701	1.930	-0.784
C7	1.321	-1.573	-0.784
C8	-2.022	-0.358	-0.784
C9	-0.756	2.377	1.072
C10	2.437	-0.534	1.072
C11	-1.681	-1.843	1.072
C12	0.645	3.275	-1.147
C13	2.514	-2.196	-1.147
C14	-3.159	-1.079	-1.147
C15	-0.811	3.720	0.715
C16	3.627	-1.158	0.715
C17	-2.816	-2.562	0.715
C18	-0.109	4.174	-0.400
C19	3.669	-1.993	-0.400
C20	-3.560	-2.181	-0.400
H21	1.305	1.239	-1.366
H22	0.420	-1.749	-1.366
H23	-1.725	0.511	-1.366
H24	-1.311	2.026	1.939
H25	2.410	0.122	1.939
H26	-1.099	-2.148	1.939
H27	1.200	3.620	-2.016
H28	2.535	-2.849	-2.016
H29	-3.735	-0.770	-2.016
H30	-1.400	4.413	1.309
H31	4.522	-0.994	1.309
H32	-3.122	-3.419	1.309
H33	-0.147	5.223	-0.681
H34	4.597	-2.484	-0.681
H35	-4.450	-2.739	-0.681

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		1.0993	1.5229	1.5229	1.5229	2.5620	2.5620	2.5620	2.5157	2.5157	2.5157	3.8382	3.8382	3.8382	3.8070	3.8070	3.8070	4.3302	4.3302	4.3302	2.7751	2.7751	2.7751	2.6916	2.6916	2.6916	4.7094	4.7094	4.7094	4.6638	4.6638	4.6638	5.4169	5.4169	5.4169
H2	1.0993		2.1089	2.1089	2.1089	3.3376	3.3376	3.3376	2.6122	2.6122	2.6122	4.4839	4.4839	4.4839	3.9716	3.9716	3.9716	4.7415	4.7415	4.7415	3.6818	3.6818	3.6818	2.4151	2.4151	2.4151	5.4279	5.4279	5.4279	4.6610	4.6610	4.6610	5.8044	5.8044	5.8044
C3	1.5229	2.1089		2.5363	2.5363	1.3957	3.4939	2.9410	1.3988	3.2379	3.7838	2.4236	4.6796	4.3158	2.4274	4.4917	4.9283	2.8081	5.0937	5.1477	2.1506	3.6572	2.5995	2.1512	3.1943	4.1053	3.4036	5.5254	4.9439	3.4083	5.2394	5.8783	3.8949	6.1435	6.2040
C4	1.5229	2.1089	2.5363		2.5363	2.9410	1.3957	3.4939	3.7838	1.3988	3.2379	4.3158	2.4236	4.6796	4.9283	2.4274	4.4917	5.1477	2.8081	5.0937	2.5995	2.1506	3.6572	4.1053	2.1512	3.1943	4.9439	3.4036	5.5254	5.8783	3.4083	5.2394	6.2040	3.8949	6.1435
C5	1.5229	2.1089	2.5363	2.5363		3.4939	2.9410	1.3957	3.2379	3.7838	1.3988	4.6796	4.3158	2.4236	4.4917	4.9283	2.4274	5.0937	5.1477	2.8082	3.6572	2.5995	2.1506	3.1943	4.1053	2.1512	5.5254	4.9439	3.4036	5.2394	5.8783	3.4083	6.1435	6.2040	3.8949
C6	2.5620	3.3376	1.3957	2.9410	3.4939		3.5574	3.5574	2.4015	3.5399	4.8332	1.3941	4.5219	4.9082	2.7810	4.5099	5.8990	2.4162	4.9343	5.9344	1.0867	3.7358	2.8708	3.3877	3.6888	5.2246	2.1494	5.2653	5.3378	3.8680	5.2469	6.9004	3.4020	5.8885	6.9534
C7	2.5620	3.3376	3.4939	1.3957	2.9410	3.5574		3.5574	4.8332	2.4015	3.5399	4.9082	1.3941	4.5219	5.8990	2.7810	4.5099	5.9344	2.4162	4.9343	2.8708	1.0867	3.7358	5.2246	3.3877	3.6888	5.3378	2.1494	5.2653	6.9004	3.8680	5.2469	6.9534	3.4020	5.8885
C8	2.5620	3.3376	2.9410	3.4939	1.3957	3.5574	3.5574		3.5399	4.8332	2.4015	4.5219	4.9082	1.3941	4.5099	5.8990	2.7810	4.9343	5.9344	2.4162	3.7358	2.8708	1.0867	3.6888	5.2246	3.3877	5.2653	5.3378	2.1494	5.2469	6.9004	3.8680	5.8885	6.9534	3.4020
C9	2.5157	2.6122	1.3988	3.7838	3.2379	2.4015	4.8332	3.5399		4.3208	4.3208	2.7734	6.0443	4.7587	1.3899	5.6416	5.3637	2.4109	6.3910	5.5511	3.3888	4.9350	3.2198	1.0883	3.9826	4.6210	3.8604	6.9050	5.3216	2.1484	6.2670	6.2654	3.3970	7.4402	6.5497
C10	2.5157	2.6122	3.2379	1.3988	3.7838	3.5399	2.4015	4.8332	4.3208		4.3208	4.7587	2.7734	6.0443	5.3637	1.3899	5.6416	5.5511	2.4109	6.3910	3.2198	3.3888	4.9350	4.6210	1.0883	3.9826	5.3216	3.8604	6.9050	6.2654	2.1484	6.2670	6.5497	3.3970	7.4402
C11	2.5157	2.6122	3.7838	3.2379	1.3988	4.8332	3.5399	2.4015	4.3208	4.3208		6.0443	4.7587	2.7734	5.6416	5.3637	1.3899	6.3910	5.5511	2.4109	4.9350	3.2198	3.3888	3.9826	4.6210	1.0883	6.9050	5.3216	3.8604	6.2670	6.2654	2.1484	7.4402	6.5497	3.3970
C12	3.8382	4.4839	2.4236	4.3158	4.6796	1.3941	4.9082	4.5219	2.7734	4.7587	6.0443		5.7820	5.7820	2.4049	5.6572	7.0369	1.3910	6.1200	6.9297	2.1519	5.0342	3.6482	3.8617	4.7520	6.4796	1.0870	6.4680	6.0257	3.3927	6.2679	8.0646	2.1542	7.0003	7.8963
C13	3.8382	4.4839	4.6796	2.4236	4.3158	4.5219	1.3941	4.9082	6.0443	2.7734	4.7587	5.7820		5.7820	7.0369	2.4049	5.6572	6.9297	1.3910	6.1200	3.6482	2.1519	5.0342	6.4796	3.8617	4.7520	6.0257	1.0870	6.4680	8.0646	3.3927	6.2679	7.8963	2.1542	7.0003
C14	3.8382	4.4839	4.3158	4.6796	2.4236	4.9082	4.5219	1.3941	4.7587	6.0443	2.7734	5.7820	5.7820		5.6572	7.0369	2.4049	6.1200	6.9297	1.3910	5.0342	3.6482	2.1519	4.7520	6.4796	3.8617	6.4680	6.0257	1.0870	6.2679	8.0646	3.3927	7.0003	7.8963	2.1542
C15	3.8070	3.9716	2.4274	4.9283	4.4917	2.7810	5.8990	4.5099	1.3899	5.3637	5.6416	2.4049	7.0369	5.6572		6.5937	6.5937	1.3934	7.3446	6.6048	3.8677	5.9792	3.9322	2.1488	4.9814	6.0013	3.3927	7.8611	6.0139	1.0870	7.1420	7.5269	2.1560	8.3472	7.5435
C16	3.8070	3.9716	4.4917	2.4274	4.9283	4.5099	2.7810	5.8990	5.6416	1.3899	5.3637	5.6572	2.4049	7.0369	6.5937		6.5937	6.6048	1.3934	7.3446	3.9322	3.8677	5.9792	6.0013	2.1488	4.9814	6.0139	3.3927	7.8611	7.5269	1.0870	7.1420	7.5435	2.1560	8.3472
C17	3.8070	3.9716	4.9283	4.4917	2.4274	5.8990	4.5099	2.7810	5.3637	5.6416	1.3899	7.0369	5.6572	2.4049	6.5937	6.5937		7.3446	6.6048	1.3934	5.9792	3.9322	3.8677	4.9814	6.0013	2.1488	7.8611	6.0139	3.3927	7.1420	7.5269	1.0870	8.3472	7.5435	2.1560
C18	4.3302	4.7415	2.8081	5.1477	5.0937	2.4162	5.9344	4.9343	2.4109	5.5511	6.3910	1.3910	6.9297	6.1200	1.3934	6.6048	7.3446		7.2322	7.2322	3.3983	6.0248	4.1190	3.3957	5.3137	6.8137	2.1523	7.6764	6.3409	2.1552	7.1466	8.3459	1.0868	8.1582	8.1680
C19	4.3302	4.7415	5.0937	2.8081	5.1477	4.9343	2.4162	5.9344	6.3910	2.4109	5.5511	6.1200	1.3910	6.9297	7.3446	1.3934	6.6048	7.2322		7.2322	4.1190	3.3983	6.0248	6.8137	3.3957	5.3137	6.3409	2.1523	7.6764	8.3459	2.1552	7.1466	8.1680	1.0868	8.1582
C20	4.3302	4.7415	5.1477	5.0937	2.8082	5.9344	4.9343	2.4162	5.5511	6.3910	2.4109	6.9297	6.1200	1.3910	6.6048	7.3446	1.3934	7.2322	7.2322		6.0248	4.1190	3.3983	5.3137	6.8137	3.3957	7.6764	6.3409	2.1523	7.1466	8.3459	2.1552	8.1582	8.1680	1.0868
H21	2.7751	3.6818	2.1506	2.5995	3.6572	1.0867	2.8708	3.7358	3.3888	3.2198	4.9350	2.1519	3.6482	5.0342	3.8677	3.9322	5.9792	3.3983	4.1190	6.0248		3.1159	3.1159	4.2879	3.6596	5.3080	2.4705	4.3181	5.4640	4.9546	4.7423	6.9600	4.2960	5.0167	7.0289
H22	2.7751	3.6818	3.6572	2.1506	2.5995	3.7358	1.0867	2.8708	4.9350	3.3888	3.2198	5.0342	2.1519	3.6482	5.9792	3.8677	3.9322	6.0248	3.3983	4.1190	3.1159		3.1159	5.3080	4.2879	3.6596	5.4640	2.4705	4.3181	6.9600	4.9546	4.7423	7.0289	4.2960	5.0167
H23	2.7751	3.6818	2.5995	3.6572	2.1506	2.8708	3.7358	1.0867	3.2198	4.9350	3.3888	3.6482	5.0342	2.1519	3.9322	5.9792	3.8677	4.1190	6.0248	3.3983	3.1159	3.1159		3.6596	5.3080	4.2879	4.3181	5.4640	2.4705	4.7423	6.9600	4.9546	5.0167	7.0289	4.2960
H24	2.6916	2.4151	2.1512	4.1053	3.1943	3.3877	5.2246	3.6888	1.0883	4.6210	3.9826	3.8617	6.4796	4.7520	2.1488	6.0013	4.9814	3.3957	6.8137	5.3137	4.2879	5.3080	3.6596		4.1799	4.1799	4.9487	7.3623	5.4167	2.4704	6.5986	5.7730	4.2942	7.8811	6.2790
H25	2.6916	2.4151	3.1943	2.1512	4.1053	3.6888	3.3877	5.2246	3.9826	1.0883	4.6210	4.7520	3.8617	6.4796	4.9814	2.1488	6.0013	5.3137	3.3957	6.8137	3.6596	4.2879	5.3080	4.1799		4.1799	5.4167	4.9487	7.3623	5.7730	2.4704	6.5986	6.2790	4.2942	7.8811
H26	2.6916	2.4151	4.1053	3.1943	2.1512	5.2246	3.6888	3.3877	4.6210	3.9826	1.0883	6.4796	4.7520	3.8617	6.0013	4.9814	2.1488	6.8137	5.3137	3.3957	5.3080	3.6596	4.2879	4.1799	4.1799		7.3623	5.4167	4.9487	6.5986	5.7730	2.4704	7.8811	6.2790	4.2942
H27	4.7094	5.4279	3.4036	4.9439	5.5254	2.1494	5.3378	5.2653	3.8604	5.3216	6.9050	1.0870	6.0257	6.4680	3.3927	6.0139	7.8611	2.1523	6.3409	7.6764	2.4705	5.4640	4.3181	4.9487	5.4167	7.3623		6.6052	6.6052	4.2949	6.5860	8.9039	2.4840	7.1118	8.6106
H28	4.7094	5.4279	5.5254	3.4036	4.9439	5.2653	2.1494	5.3378	6.9050	3.8604	5.3216	6.4680	1.0870	6.0257	7.8611	3.3927	6.0139	7.6764	2.1523	6.3409	4.3181	2.4705	5.4640	7.3623	4.9487	5.4167	6.6052		6.6052	8.9039	4.2949	6.5860	8.6106	2.4840	7.1118
H29	4.7094	5.4279	4.9439	5.5254	3.4036	5.3378	5.2653	2.1494	5.3216	6.9050	3.8604	6.0257	6.4680	1.0870	6.0139	7.8611	3.3927	6.3409	7.6764	2.1523	5.4640	4.3181	2.4705	5.4167	7.3623	4.9487	6.6052	6.6052		6.5860	8.9039	4.2949	7.1118	8.6106	2.4840
H30	4.6638	4.6610	3.4083	5.8783	5.2394	3.8680	6.9004	5.2469	2.1484	6.2654	6.2670	3.3927	8.0646	6.2679	1.0870	7.5269	7.1420	2.1552	8.3459	7.1466	4.9546	6.9600	4.7423	2.4704	5.7730	6.5986	4.2949	8.9039	6.5860		8.0192	8.0192	2.4869	9.3539	8.0259
H31	4.6638	4.6610	5.2394	3.4083	5.8783	5.2469	3.8680	6.9004	6.2670	2.1484	6.2654	6.2679	3.3927	8.0646	7.1420	1.0870	7.5269	7.1466	2.1552	8.3459	4.7423	4.9546	6.9600	6.5986	2.4704	5.7730	6.5860	4.2949	8.9039	8.0192		8.0192	8.0259	2.4869	9.3539
H32	4.6638	4.6610	5.8783	5.2394	3.4083	6.9004	5.2469	3.8680	6.2654	6.2670	2.1484	8.0646	6.2679	3.3927	7.5269	7.1420	1.0870	8.3459	7.1466	2.1552	6.9600	4.7423	4.9546	5.7730	6.5986	2.4704	8.9039	6.5860	4.2949	8.0192	8.0192		9.3539	8.0259	2.4869
H33	5.4169	5.8044	3.8949	6.2040	6.1435	3.4020	6.9534	5.8885	3.3970	6.5497	7.4402	2.1542	7.8963	7.0003	2.1560	7.5435	8.3472	1.0868	8.1680	8.1582	4.2960	7.0289	5.0167	4.2942	6.2790	7.8811	2.4840	8.6106	7.1118	2.4869	8.0259	9.3539		9.0505	9.0505
H34	5.4169	5.8044	6.1435	3.8949	6.2040	5.8885	3.4020	6.9534	7.4402	3.3970	6.5497	7.0003	2.1542	7.8963	8.3472	2.1560	7.5435	8.1582	1.0868	8.1680	5.0167	4.2960	7.0289	7.8811	4.2942	6.2790	7.1118	2.4840	8.6106	9.3539	2.4869	8.0259	9.0505		9.0505
H35	5.4169	5.8044	6.2040	6.1435	3.8949	6.9534	5.8885	3.4020	6.5497	7.4402	3.3970	7.8963	7.0003	2.1542	7.5435	8.3472	2.1560	8.1680	8.1582	1.0868	7.0289	5.0167	4.2960	6.2790	7.8811	4.2942	8.6106	7.1118	2.4840	8.0259	9.3539	2.4869	9.0505	9.0505

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.694	C1	C3	C9	118.799
C1	C4	C7	122.694	C1	C4	C10	118.799
C1	C5	C8	122.694	C1	C5	C11	118.799
H2	C1	C3	105.945	H2	C1	C4	105.945
H2	C1	C5	105.945	C3	C1	C4	112.755
C3	C1	C5	112.755	C3	C6	C12	120.629
C3	C6	H21	119.554	C3	C9	C15	121.017
C3	C9	H24	119.230	C4	C1	C5	112.756
C4	C7	C13	120.629	C4	C7	H22	119.554
C4	C10	C16	121.017	C4	C10	H25	119.230
C5	C8	C14	120.629	C5	C8	H23	119.554
C5	C11	C17	121.017	C5	C11	H26	119.230
C6	C3	C9	118.492	C6	C12	C18	120.358
C6	C12	H27	119.551	C7	C4	C10	118.492
C7	C13	C19	120.358	C7	C13	H28	119.551
C8	C5	C11	118.492	C8	C14	C20	120.358
C8	C14	H29	119.551	C9	C15	C18	120.035
C9	C15	H30	119.812	C10	C16	C19	120.035
C10	C16	H31	119.812	C11	C17	C20	120.035
C11	C17	H32	119.812	C12	C5	H21	26.459
C12	C18	C15	119.469	C12	C18	H33	120.285
C13	C7	H22	119.814	C13	C19	C16	119.469
C13	C19	H34	120.285	C14	C8	H23	119.814
C14	C20	C17	119.469	C14	C20	H35	120.285
C15	C9	H24	119.752	C15	C18	H33	120.246
C16	C10	H25	119.752	C16	C19	H34	120.246
C17	C11	H26	119.752	C17	C20	H35	120.246
C18	C12	H27	120.089	C18	C15	H30	120.153
C19	C13	H28	120.089	C19	C16	H31	120.153
C20	C14	H29	120.089	C20	C17	H32	120.153

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at PBE1PBE/6-31G** Charges (e)

Number	Element	Mulliken
1	C	-0.368
2	H	0.185
3	C	0.115
4	C	0.115
5	C	0.115
6	C	-0.205
7	C	-0.205
8	C	-0.205
9	C	-0.191
10	C	-0.191
11	C	-0.191
12	C	-0.175
13	C	-0.175
14	C	-0.175
15	C	-0.172
16	C	-0.172
17	C	-0.172
18	C	-0.168
19	C	-0.168
20	C	-0.168
21	H	0.183
22	H	0.183
23	H	0.183
24	H	0.168
25	H	0.168
26	H	0.168
27	H	0.170
28	H	0.170
29	H	0.170
30	H	0.169
31	H	0.169
32	H	0.169
33	H	0.168
34	H	0.168
35	H	0.168

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	0.051	0.051
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-104.021	0.000	0.000
y	0.000	-104.021	0.000
z	0.000	0.000	-103.534

Traceless
	x	y	z
x	-0.244	0.000	0.000
y	0.000	-0.244	0.000
z	0.000	0.000	0.487

Polar
3z²-r²	0.975
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	29.613	0.000	0.000
y	0.000	29.614	0.000
z	0.000	0.000	22.480

<r²> (average value of r²) Å²

<r²>	1395.526
(<r²>)^1/2	37.357

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: PBE1PBE/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: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)