CCCBDB calculation results Page

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

Energy calculated at M06-2X/3-21G*

	hartrees
Energy at 0K	-729.326796
Energy at 298.15K
HF Energy	-729.326796
Nuclear repulsion energy	1288.250992

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/3-21G*

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3235	3064	0.02
2	A	3217	3047	9.12
3	A	3205	3036	2.01
4	A	3188	3020	3.08
5	A	3173	3005	3.39
6	A	3020	2860	3.06
7	A	1667	1579	0.04
8	A	1647	1560	2.94
9	A	1559	1477	2.15
10	A	1511	1431	15.40
11	A	1391	1317	3.23
12	A	1303	1234	0.02
13	A	1246	1180	0.58
14	A	1227	1162	0.03
15	A	1214	1150	0.02
16	A	1130	1070	8.70
17	A	1076	1019	0.11
18	A	1069	1012	0.02
19	A	1047	992	0.02
20	A	1039	984	0.02
21	A	986	934	0.81
22	A	897	850	0.28
23	A	860	815	8.68
24	A	773	732	21.82
25	A	744	704	56.37
26	A	688	652	13.10
27	A	656	621	1.26
28	A	488	462	4.87
29	A	426	403	0.15
30	A	277	262	0.07
31	A	228	216	0.55
32	A	80	76	0.50
33	A	42	39	0.00
34	E	3234	3064	16.26
34	E	3234	3064	16.34
35	E	3217	3047	2.72
35	E	3217	3047	2.80
36	E	3205	3036	0.57
36	E	3205	3036	0.57
37	E	3188	3020	1.78
37	E	3188	3020	1.78
38	E	3173	3005	3.16
38	E	3173	3005	3.13
39	E	1662	1574	9.61
39	E	1662	1574	9.57
40	E	1653	1565	0.51
40	E	1653	1565	0.51
41	E	1560	1477	31.69
41	E	1559	1477	31.48
42	E	1518	1438	8.65
42	E	1518	1438	8.62
43	E	1407	1333	0.14
43	E	1407	1333	0.16
44	E	1335	1265	1.29
44	E	1335	1264	1.17
45	E	1295	1227	1.40
45	E	1295	1226	1.42
46	E	1247	1181	2.15
46	E	1247	1181	2.15
47	E	1236	1171	1.07
47	E	1236	1171	1.10
48	E	1225	1161	0.02
48	E	1225	1161	0.02
49	E	1127	1067	0.82
49	E	1127	1067	0.79
50	E	1076	1019	9.26
50	E	1076	1019	9.28
51	E	1069	1012	0.14
51	E	1068	1012	0.14
52	E	1050	994	0.45
52	E	1050	994	0.45
53	E	1037	982	0.10
53	E	1037	982	0.10
54	E	982	930	1.63
54	E	982	930	1.61
55	E	898	851	1.16
55	E	898	851	1.18
56	E	892	845	0.01
56	E	892	845	0.01
57	E	803	761	19.63
57	E	803	761	19.65
58	E	743	704	50.06
58	E	743	704	50.15
59	E	661	626	2.92
59	E	661	626	2.91
60	E	642	609	13.02
60	E	642	609	13.05
61	E	518	491	6.55
61	E	518	491	6.54
62	E	420	398	0.29
62	E	420	398	0.29
63	E	311	294	0.64
63	E	311	294	0.64
64	E	237	225	0.53
64	E	237	225	0.53
65	E	63	60	0.23
65	E	63	60	0.23
66	E	15	15	0.04
66	E	15	15	0.04

Unscaled Zero Point Vibrational Energy (zpe) 64850.6 cm^-1
Scaled (by 0.9472) Zero Point Vibrational Energy (zpe) 61426.5 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/3-21G*

A	B	C
0.01320	0.01320	0.00759

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

Geometric Data calculated at M06-2X/3-21G*

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.812
H2	0.000	0.000	1.912
C3	0.000	1.460	0.359
C4	1.264	-0.730	0.359
C5	-1.264	-0.730	0.359
C6	0.785	1.915	-0.703
C7	1.265	-1.637	-0.703
C8	-2.051	-0.277	-0.703
C9	-0.848	2.361	1.015
C10	2.468	-0.446	1.015
C11	-1.621	-1.914	1.015
C12	0.728	3.255	-1.096
C13	2.455	-2.258	-1.096
C14	-3.183	-0.997	-1.096
C15	-0.902	3.697	0.627
C16	3.653	-1.067	0.627
C17	-2.751	-2.630	0.627
C18	-0.111	4.149	-0.432
C19	3.648	-1.978	-0.432
C20	-3.537	-2.170	-0.432
H21	1.446	1.221	-1.210
H22	0.335	-1.862	-1.210
H23	-1.780	0.641	-1.210
H24	-1.468	2.004	1.831
H25	2.470	0.270	1.831
H26	-1.001	-2.274	1.831
H27	1.344	3.599	-1.919
H28	2.445	-2.963	-1.919
H29	-3.789	-0.636	-1.919
H30	-1.556	4.385	1.150
H31	4.576	-0.845	1.150
H32	-3.020	-3.540	1.150
H33	-0.148	5.189	-0.733
H34	4.567	-2.466	-0.733
H35	-4.420	-2.722	-0.733

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		1.0995	1.5285	1.5285	1.5285	2.5646	2.5646	2.5646	2.5164	2.5164	2.5164	3.8430	3.8430	3.8430	3.8100	3.8100	3.8100	4.3325	4.3325	4.3325	2.7695	2.7695	2.7695	2.6853	2.6853	2.6853	4.7137	4.7137	4.7137	4.6652	4.6652	4.6652	5.4160	5.4160	5.4160
H2	1.0995		2.1313	2.1313	2.1313	3.3343	3.3343	3.3343	2.6635	2.6635	2.6635	4.4915	4.4915	4.4915	4.0163	4.0163	4.0163	4.7660	4.7660	4.7660	3.6505	3.6505	3.6505	2.4857	2.4857	2.4857	5.4253	5.4253	5.4253	4.7149	4.7149	4.7149	5.8258	5.8258	5.8258
C3	1.5285	2.1313		2.5282	2.5282	1.3965	3.5098	2.8894	1.4004	3.1867	3.8001	2.4230	4.6868	4.2760	2.4274	4.4497	4.9358	2.8049	5.0748	5.1297	2.1466	3.6891	2.5100	2.1496	3.1119	4.1363	3.4016	5.5434	4.8923	3.4066	5.1840	5.8941	3.8885	6.1211	6.1818
C4	1.5285	2.1313	2.5282		2.5282	2.8894	1.3965	3.5098	3.8001	1.4004	3.1867	4.2760	2.4230	4.6868	4.9358	2.4274	4.4497	5.1297	2.8049	5.0748	2.5100	2.1466	3.6891	4.1363	2.1496	3.1119	4.8923	3.4016	5.5434	5.8941	3.4066	5.1840	6.1818	3.8885	6.1211
C5	1.5285	2.1313	2.5282	2.5282		3.5098	2.8894	1.3965	3.1867	3.8001	1.4004	4.6868	4.2760	2.4230	4.4497	4.9358	2.4274	5.0748	5.1297	2.8049	3.6891	2.5100	2.1466	3.1119	4.1363	2.1496	5.5434	4.8923	3.4016	5.1840	5.8941	3.4066	6.1211	6.1818	3.8885
C6	2.5646	3.3343	1.3965	2.8894	3.5098		3.5841	3.5841	2.4118	3.3701	4.8373	1.3984	4.5116	4.9376	2.7919	4.3454	5.9096	2.4222	4.8399	5.9534	1.0837	3.8374	2.9086	3.3923	3.4588	5.2109	2.1516	5.2942	5.3766	3.8752	5.0413	6.9037	3.4047	5.7878	6.9709
C7	2.5646	3.3343	3.5098	1.3965	2.8894	3.5841		3.5841	4.8373	2.4118	3.3701	4.9376	1.3984	4.5116	5.9096	2.7919	4.3454	5.9534	2.4222	4.8399	2.9086	1.0837	3.8374	5.2109	3.3923	3.4588	5.3766	2.1516	5.2942	6.9037	3.8752	5.0413	6.9709	3.4047	5.7878
C8	2.5646	3.3343	2.8894	3.5098	1.3965	3.5841	3.5841		3.3701	4.8373	2.4118	4.5116	4.9376	1.3984	4.3454	5.9096	2.7919	4.8399	5.9534	2.4222	3.8374	2.9086	1.0837	3.4588	5.2109	3.3923	5.2942	5.3766	2.1516	5.0413	6.9037	3.8752	5.7878	6.9709	3.4047
C9	2.5164	2.6635	1.4004	3.8001	3.1867	2.4118	4.8373	3.3701		4.3442	4.3442	2.7824	6.0579	4.6029	1.3926	5.6703	5.3551	2.4154	6.4134	5.4642	3.3926	4.9177	2.9628	1.0855	4.0052	4.7081	3.8659	6.9135	5.1225	2.1491	6.3012	6.2891	3.3978	7.4619	6.4540
C10	2.5164	2.6635	3.1867	1.4004	3.8001	3.3701	2.4118	4.8373	4.3442		4.3442	4.6029	2.7824	6.0579	5.3551	1.3926	5.6703	5.4642	2.4154	6.4134	2.9628	3.3926	4.9177	4.7081	1.0855	4.0052	5.1225	3.8659	6.9135	6.2891	2.1491	6.3012	6.4540	3.3978	7.4619
C11	2.5164	2.6635	3.8001	3.1867	1.4004	4.8373	3.3701	2.4118	4.3442	4.3442		6.0579	4.6029	2.7824	5.6703	5.3551	1.3926	6.4134	5.4642	2.4154	4.9177	2.9628	3.3926	4.0052	4.7081	1.0855	6.9135	5.1225	3.8659	6.3012	6.2891	2.1491	7.4619	6.4540	3.3978
C12	3.8430	4.4915	2.4230	4.2760	4.6868	1.3984	4.9376	4.5116	2.7824	4.6029	6.0579		5.7775	5.7775	2.4135	5.4961	7.0503	1.3940	6.0298	6.9333	2.1600	5.1339	3.6245	3.8678	4.5294	6.4907	1.0835	6.5036	6.0185	3.3968	6.0548	8.0787	2.1535	6.8999	7.8970
C13	3.8430	4.4915	4.6868	2.4230	4.2760	4.5116	1.3984	4.9376	6.0579	2.7824	4.6029	5.7775		5.7775	7.0503	2.4135	5.4961	6.9333	1.3940	6.0298	3.6245	2.1600	5.1339	6.4907	3.8678	4.5294	6.0185	1.0835	6.5036	8.0787	3.3968	6.0548	7.8970	2.1535	6.8999
C14	3.8430	4.4915	4.2760	4.6868	2.4230	4.9376	4.5116	1.3984	4.6029	6.0579	2.7824	5.7775	5.7775		5.4961	7.0503	2.4135	6.0298	6.9333	1.3940	5.1339	3.6245	2.1600	4.5294	6.4907	3.8678	6.5036	6.0185	1.0835	6.0548	8.0787	3.3968	6.8999	7.8970	2.1535
C15	3.8100	4.0163	2.4274	4.9358	4.4497	2.7919	5.9096	4.3454	1.3926	5.3551	5.6703	2.4135	7.0503	5.4961		6.5913	6.5913	1.3974	7.3511	6.5184	3.8755	5.9844	3.6722	2.1530	4.9563	6.0916	3.3968	7.8772	5.7958	1.0833	7.1352	7.5584	2.1555	8.3520	7.4452
C16	3.8100	4.0163	4.4497	2.4274	4.9358	4.3454	2.7919	5.9096	5.6703	1.3926	5.3551	5.4961	2.4135	7.0503	6.5913		6.5913	6.5184	1.3974	7.3511	3.6722	3.8755	5.9845	6.0916	2.1530	4.9563	5.7958	3.3968	7.8772	7.5584	1.0833	7.1352	7.4452	2.1555	8.3520
C17	3.8100	4.0163	4.9358	4.4497	2.4274	5.9096	4.3454	2.7919	5.3551	5.6703	1.3926	7.0503	5.4961	2.4135	6.5913	6.5913		7.3511	6.5184	1.3974	5.9845	3.6722	3.8755	4.9563	6.0916	2.1530	7.8772	5.7958	3.3968	7.1352	7.5584	1.0833	8.3520	7.4452	2.1555
C18	4.3325	4.7660	2.8049	5.1297	5.0748	2.4222	5.9534	4.8399	2.4154	5.4642	6.4134	1.3940	6.9333	6.0298	1.3974	6.5184	7.3511		7.1881	7.1881	3.4056	6.0775	3.9615	3.4005	5.1793	6.8673	2.1513	7.7022	6.2155	2.1555	7.0285	8.3712	1.0836	8.1076	8.1159
C19	4.3325	4.7660	5.0748	2.8049	5.1297	4.8399	2.4222	5.9534	6.4134	2.4154	5.4642	6.0298	1.3940	6.9333	7.3511	1.3974	6.5184	7.1881		7.1881	3.9615	3.4056	6.0775	6.8673	3.4005	5.1793	6.2155	2.1513	7.7022	8.3712	2.1555	7.0285	8.1159	1.0836	8.1076
C20	4.3325	4.7660	5.1297	5.0748	2.8049	5.9534	4.8399	2.4222	5.4642	6.4134	2.4154	6.9333	6.0298	1.3940	6.5184	7.3511	1.3974	7.1881	7.1881		6.0775	3.9615	3.4056	5.1793	6.8673	3.4005	7.7022	6.2155	2.1513	7.0285	8.3712	2.1555	8.1076	8.1159	1.0836
H21	2.7695	3.6505	2.1466	2.5100	3.6891	1.0837	2.9086	3.8374	3.3926	2.9628	4.9177	2.1600	3.6245	5.1339	3.8755	3.6722	5.9845	3.4056	3.9615	6.0775		3.2774	3.2774	4.2841	3.3472	5.2392	2.4837	4.3602	5.5992	4.9588	4.4313	6.9409	4.3022	4.8550	7.0837
H22	2.7695	3.6505	3.6891	2.1466	2.5100	3.8374	1.0837	2.9086	4.9177	3.3926	2.9628	5.1339	2.1600	3.6245	5.9844	3.8755	3.6722	6.0775	3.4056	3.9615	3.2774		3.2774	5.2392	4.2841	3.3472	5.5992	2.4837	4.3602	6.9409	4.9588	4.4313	7.0837	4.3022	4.8550
H23	2.7695	3.6505	2.5100	3.6891	2.1466	2.9086	3.8374	1.0837	2.9628	4.9177	3.3926	3.6245	5.1339	2.1600	3.6722	5.9845	3.8755	3.9615	6.0775	3.4056	3.2774	3.2774		3.3472	5.2392	4.2841	4.3602	5.5992	2.4837	4.4313	6.9409	4.9588	4.8550	7.0837	4.3022
H24	2.6853	2.4857	2.1496	4.1363	3.1119	3.3923	5.2109	3.4588	1.0855	4.7081	4.0052	3.8678	6.4907	4.5294	2.1530	6.0916	4.9563	3.4005	6.8673	5.1793	4.2841	5.2392	3.3472		4.3032	4.3032	4.9513	7.3521	5.1396	2.4782	6.7165	5.7971	4.2968	7.9368	6.1338
H25	2.6853	2.4857	3.1119	2.1496	4.1363	3.4588	3.3923	5.2109	4.0052	1.0855	4.7081	4.5294	3.8678	6.4907	4.9563	2.1530	6.0916	5.1793	3.4005	6.8673	3.3472	4.2841	5.2392	4.3032		4.3032	5.1396	4.9513	7.3522	5.7971	2.4782	6.7165	6.1338	4.2968	7.9368
H26	2.6853	2.4857	4.1363	3.1119	2.1496	5.2109	3.4588	3.3923	4.7081	4.0052	1.0855	6.4907	4.5294	3.8678	6.0916	4.9563	2.1530	6.8673	5.1793	3.4005	5.2392	3.3472	4.2841	4.3032	4.3032		7.3522	5.1396	4.9513	6.7165	5.7971	2.4782	7.9368	6.1338	4.2968
H27	4.7137	5.4253	3.4016	4.8923	5.5434	2.1516	5.3766	5.2942	3.8659	5.1225	6.9135	1.0835	6.0185	6.5036	3.3968	5.7958	7.8772	2.1513	6.2155	7.7022	2.4837	5.5992	4.3602	4.9513	5.1396	7.3522		6.6546	6.6546	4.2944	6.2940	8.9122	2.4812	6.9707	8.6364
H28	4.7137	5.4253	5.5434	3.4016	4.8923	5.2942	2.1516	5.3766	6.9135	3.8659	5.1225	6.5036	1.0835	6.0185	7.8772	3.3968	5.7958	7.7022	2.1513	6.2155	4.3602	2.4837	5.5992	7.3521	4.9513	5.1396	6.6546		6.6546	8.9122	4.2944	6.2940	8.6364	2.4812	6.9707
H29	4.7137	5.4253	4.8923	5.5434	3.4016	5.3766	5.2942	2.1516	5.1225	6.9135	3.8659	6.0185	6.5036	1.0835	5.7958	7.8772	3.3968	6.2155	7.7022	2.1513	5.5992	4.3602	2.4837	5.1396	7.3522	4.9513	6.6546	6.6546		6.2940	8.9122	4.2944	6.9707	8.6364	2.4812
H30	4.6652	4.7149	3.4066	5.8941	5.1840	3.8752	6.9037	5.0413	2.1491	6.2891	6.3012	3.3968	8.0787	6.0548	1.0833	7.5584	7.1352	2.1555	8.3712	7.0285	4.9588	6.9409	4.4313	2.4782	5.7971	6.7165	4.2944	8.9122	6.2940		8.0592	8.0592	2.4848	9.3800	7.8908
H31	4.6652	4.7149	5.1840	3.4066	5.8941	5.0413	3.8752	6.9037	6.3012	2.1491	6.2891	6.0548	3.3968	8.0787	7.1352	1.0833	7.5584	7.0285	2.1555	8.3712	4.4313	4.9588	6.9409	6.7165	2.4782	5.7971	6.2940	4.2944	8.9122	8.0592		8.0592	7.8908	2.4848	9.3800
H32	4.6652	4.7149	5.8941	5.1840	3.4066	6.9037	5.0413	3.8752	6.2891	6.3012	2.1491	8.0787	6.0548	3.3968	7.5584	7.1352	1.0833	8.3712	7.0285	2.1555	6.9409	4.4313	4.9588	5.7971	6.7165	2.4782	8.9122	6.2940	4.2944	8.0592	8.0592		9.3800	7.8908	2.4848
H33	5.4160	5.8258	3.8885	6.1818	6.1211	3.4047	6.9709	5.7878	3.3978	6.4540	7.4619	2.1535	7.8970	6.8999	2.1555	7.4452	8.3520	1.0836	8.1159	8.1076	4.3022	7.0837	4.8550	4.2968	6.1338	7.9368	2.4812	8.6364	6.9707	2.4848	7.8908	9.3800		8.9908	8.9908
H34	5.4160	5.8258	6.1211	3.8885	6.1818	5.7878	3.4047	6.9709	7.4619	3.3978	6.4540	6.8999	2.1535	7.8970	8.3520	2.1555	7.4452	8.1076	1.0836	8.1159	4.8550	4.3022	7.0837	7.9368	4.2968	6.1338	6.9707	2.4812	8.6364	9.3800	2.4848	7.8908	8.9908		8.9908
H35	5.4160	5.8258	6.1818	6.1211	3.8885	6.9709	5.7878	3.4047	6.4540	7.4619	3.3978	7.8970	6.8999	2.1535	7.4452	8.3520	2.1555	8.1159	8.1076	1.0836	7.0837	4.8550	4.3022	6.1338	7.9368	4.2968	8.6364	6.9707	2.4812	7.8908	9.3800	2.4848	8.9908	8.9908

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.450	C1	C3	C9	118.377
C1	C4	C7	122.450	C1	C4	C10	118.377
C1	C5	C8	122.450	C1	C5	C11	118.377
H2	C1	C3	107.258	H2	C1	C4	107.258
H2	C1	C5	107.258	C3	C1	C4	111.591
C3	C1	C5	111.591	C3	C6	C12	120.212
C3	C6	H21	119.343	C3	C9	C15	120.704
C3	C9	H24	119.159	C4	C1	C5	111.591
C4	C7	C13	120.212	C4	C7	H22	119.343
C4	C10	C16	120.704	C4	C10	H25	119.159
C5	C8	C14	120.212	C5	C8	H23	119.343
C5	C11	C17	120.704	C5	C11	H26	119.159
C6	C3	C9	119.152	C6	C12	C18	120.325
C6	C12	H27	119.664	C7	C4	C10	119.152
C7	C13	C19	120.325	C7	C13	H28	119.664
C8	C5	C11	119.152	C8	C14	C20	120.325
C8	C14	H29	119.664	C9	C15	C18	119.931
C9	C15	H30	119.936	C10	C16	C19	119.931
C10	C16	H31	119.936	C11	C17	C20	119.931
C11	C17	H32	119.936	C12	C5	H21	26.636
C12	C18	C15	119.674	C12	C18	H33	120.215
C13	C7	H22	120.442	C13	C19	C16	119.674
C13	C19	H34	120.215	C14	C8	H23	120.442
C14	C20	C17	119.674	C14	C20	H35	120.215
C15	C9	H24	120.137	C15	C18	H33	120.111
C16	C10	H25	120.137	C16	C19	H34	120.111
C17	C11	H26	120.137	C17	C20	H35	120.111
C18	C12	H27	120.010	C18	C15	H30	120.132
C19	C13	H28	120.010	C19	C16	H31	120.132
C20	C14	H29	120.010	C20	C17	H32	120.132

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at M06-2X/3-21G* Charges (e)

Number	Element	Mulliken
1	C	-0.367
2	H	0.229
3	C	-0.001
4	C	-0.001
5	C	-0.001
6	C	-0.203
7	C	-0.203
8	C	-0.203
9	C	-0.184
10	C	-0.184
11	C	-0.184
12	C	-0.209
13	C	-0.209
14	C	-0.209
15	C	-0.210
16	C	-0.210
17	C	-0.210
18	C	-0.212
19	C	-0.212
20	C	-0.212
21	H	0.228
22	H	0.228
23	H	0.228
24	H	0.208
25	H	0.208
26	H	0.208
27	H	0.211
28	H	0.211
29	H	0.211
30	H	0.210
31	H	0.210
32	H	0.210
33	H	0.209
34	H	0.209
35	H	0.209

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	-0.020	0.020
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-105.064	0.000	0.000
y	0.000	-105.064	0.000
z	0.000	0.000	-107.452

Traceless
	x	y	z
x	1.194	0.000	0.000
y	0.000	1.194	0.000
z	0.000	0.000	-2.389

Polar
3z²-r²	-4.777
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	27.607	-0.004	-0.003
y	-0.004	27.614	0.020
z	-0.003	0.020	19.367

<r²> (average value of r²) Å²

<r²>	1385.589
(<r²>)^1/2	37.224

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: M06-2X/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: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)