CCCBDB calculation results Page

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

Energy calculated at M06-2X/6-311G**

	hartrees
Energy at 0K	-733.522383
Energy at 298.15K
HF Energy	-733.522383
Nuclear repulsion energy	1288.540026

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/6-311G**

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3221	3221	0.27
2	A	3207	3207	20.52
3	A	3203	3203	1.22
4	A	3189	3189	1.64
5	A	3174	3174	5.88
6	A	3034	3034	5.41
7	A	1689	1689	0.01
8	A	1664	1664	2.80
9	A	1548	1548	1.41
10	A	1494	1494	12.45
11	A	1363	1363	1.56
12	A	1322	1322	0.19
13	A	1217	1217	0.56
14	A	1205	1205	0.10
15	A	1185	1185	0.00
16	A	1123	1123	11.53
17	A	1070	1070	0.14
18	A	1023	1023	0.02
19	A	1021	1021	0.04
20	A	1003	1003	0.05
21	A	955	955	1.26
22	A	875	875	0.08
23	A	845	845	5.89
24	A	752	752	31.76
25	A	721	721	40.77
26	A	672	672	7.21
27	A	632	632	0.89
28	A	477	477	4.30
29	A	414	414	0.06
30	A	275	275	0.08
31	A	227	227	0.36
32	A	90	90	0.40
33	A	50	50	0.00
34	E	3221	3221	22.40
34	E	3221	3221	22.17
35	E	3207	3207	7.25
35	E	3207	3207	7.31
36	E	3203	3203	0.81
36	E	3203	3203	0.79
37	E	3189	3189	1.31
37	E	3189	3189	1.30
38	E	3174	3174	4.21
38	E	3174	3174	4.06
39	E	1684	1684	12.05
39	E	1684	1684	12.11
40	E	1670	1670	0.34
40	E	1670	1670	0.34
41	E	1549	1549	25.02
41	E	1549	1549	25.05
42	E	1503	1503	7.75
42	E	1503	1503	7.74
43	E	1373	1373	0.05
43	E	1373	1373	0.05
44	E	1351	1351	2.11
44	E	1351	1351	2.02
45	E	1302	1302	2.19
45	E	1302	1302	2.32
46	E	1227	1227	0.53
46	E	1227	1227	0.63
47	E	1216	1216	1.50
47	E	1216	1216	1.47
48	E	1185	1185	0.02
48	E	1185	1185	0.02
49	E	1121	1121	0.93
49	E	1121	1121	0.89
50	E	1073	1073	7.86
50	E	1073	1073	7.86
51	E	1023	1023	0.02
51	E	1023	1023	0.02
52	E	1021	1021	1.67
52	E	1021	1021	1.71
53	E	1002	1002	0.06
53	E	1002	1002	0.06
54	E	951	951	1.87
54	E	951	951	1.84
55	E	891	891	1.15
55	E	891	891	1.15
56	E	872	872	0.11
56	E	872	872	0.11
57	E	780	780	25.02
57	E	780	780	25.08
58	E	721	721	39.93
58	E	721	721	39.89
59	E	637	637	3.35
59	E	637	637	3.34
60	E	620	620	11.87
60	E	620	620	11.83
61	E	507	507	4.70
61	E	507	507	4.65
62	E	409	409	0.20
62	E	409	409	0.20
63	E	309	309	0.50
63	E	309	309	0.50
64	E	236	236	0.46
64	E	236	236	0.46
65	E	67	67	0.21
65	E	67	67	0.21
66	E	29	29	0.03
66	E	29	29	0.03

Unscaled Zero Point Vibrational Energy (zpe) 64285.4 cm^-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 64285.4 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/6-311G**

A	B	C
0.01316	0.01316	0.00758

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

Geometric Data calculated at M06-2X/6-311G**

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.761
H2	0.000	0.000	1.858
C3	0.000	1.463	0.338
C4	1.267	-0.731	0.338
C5	-1.267	-0.731	0.338
C6	0.756	1.944	-0.729
C7	1.305	-1.626	-0.729
C8	-2.061	-0.317	-0.729
C9	-0.832	2.349	1.025
C10	2.450	-0.454	1.025
C11	-1.618	-1.895	1.025
C12	0.677	3.284	-1.100
C13	2.506	-2.229	-1.100
C14	-3.183	-1.056	-1.100
C15	-0.910	3.685	0.659
C16	3.646	-1.055	0.659
C17	-2.736	-2.630	0.659
C18	-0.153	4.158	-0.410
C19	3.677	-1.946	-0.410
C20	-3.524	-2.211	-0.410
H21	1.413	1.271	-1.269
H22	0.394	-1.860	-1.269
H23	-1.808	0.588	-1.269
H24	-1.430	1.978	1.852
H25	2.428	0.250	1.852
H26	-0.998	-2.227	1.852
H27	1.271	3.645	-1.932
H28	2.521	-2.924	-1.932
H29	-3.793	-0.722	-1.932
H30	-1.558	4.358	1.207
H31	4.553	-0.830	1.207
H32	-2.995	-3.528	1.207
H33	-0.209	5.201	-0.698
H34	4.608	-2.420	-0.698
H35	-4.400	-2.781	-0.698

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		1.0966	1.5227	1.5227	1.5227	2.5632	2.5632	2.5632	2.5058	2.5058	2.5058	3.8357	3.8357	3.8357	3.7969	3.7969	3.7969	4.3220	4.3220	4.3220	2.7811	2.7811	2.7811	2.6732	2.6732	2.6732	4.7072	4.7072	4.7072	4.6499	4.6499	4.6499	5.4054	5.4054	5.4054
H2	1.0966		2.1096	2.1096	2.1096	3.3228	3.3228	3.3228	2.6274	2.6274	2.6274	4.4720	4.4720	4.4720	3.9804	3.9804	3.9804	4.7382	4.7382	4.7382	3.6591	3.6591	3.6591	2.4406	2.4406	2.4406	5.4100	5.4100	5.4100	4.6740	4.6740	4.6740	5.7984	5.7984	5.7984
C3	1.5227	2.1096		2.5332	2.5332	1.3929	3.5189	2.9247	1.3968	3.1856	3.7901	2.4178	4.6875	4.3060	2.4228	4.4422	4.9338	2.8009	5.0695	5.1453	2.1480	3.7111	2.5714	2.1457	3.1077	4.1115	3.3958	5.5449	4.9301	3.4014	5.1716	5.8855	3.8844	6.1138	6.1997
C4	1.5227	2.1096	2.5332		2.5332	2.9247	1.3929	3.5189	3.7901	1.3968	3.1856	4.3060	2.4178	4.6875	4.9338	2.4228	4.4422	5.1453	2.8009	5.0695	2.5714	2.1480	3.7111	4.1115	2.1457	3.1077	4.9301	3.3958	5.5449	5.8855	3.4014	5.1716	6.1997	3.8844	6.1138
C5	1.5227	2.1096	2.5332	2.5332		3.5189	2.9247	1.3929	3.1856	3.7901	1.3968	4.6875	4.3060	2.4178	4.4422	4.9338	2.4228	5.0695	5.1453	2.8009	3.7111	2.5714	2.1480	3.1077	4.1115	2.1457	5.5449	4.9301	3.3958	5.1716	5.8855	3.4014	6.1138	6.1997	3.8844
C6	2.5632	3.3228	1.3929	2.9247	3.5189		3.6120	3.6120	2.4006	3.4198	4.8423	1.3935	4.5398	4.9647	2.7808	4.3898	5.9197	2.4144	4.8753	5.9735	1.0842	3.8583	2.9495	3.3824	3.5108	5.2089	2.1468	5.3156	5.4073	3.8644	5.0858	6.9112	3.3969	5.8208	6.9929
C7	2.5632	3.3228	3.5189	1.3929	2.9247	3.6120		3.6120	4.8423	2.4006	3.4198	4.9647	1.3935	4.5398	5.9197	2.7808	4.3898	5.9735	2.4144	4.8753	2.9495	1.0842	3.8583	5.2089	3.3824	3.5108	5.4073	2.1468	5.3156	6.9112	3.8644	5.0858	6.9929	3.3969	5.8208
C8	2.5632	3.3228	2.9247	3.5189	1.3929	3.6120	3.6120		3.4198	4.8423	2.4006	4.5398	4.9647	1.3935	4.3898	5.9197	2.7808	4.8753	5.9735	2.4144	3.8583	2.9495	1.0842	3.5108	5.2089	3.3824	5.3156	5.4073	2.1468	5.0858	6.9112	3.8644	5.8208	6.9929	3.3969
C9	2.5058	2.6274	1.3968	3.7901	3.1856	2.4006	4.8423	3.4198		4.3161	4.3161	2.7699	6.0510	4.6513	1.3875	5.6368	5.3433	2.4066	6.3907	5.4861	3.3860	4.9474	3.0516	1.0858	3.9645	4.6532	3.8536	6.9130	5.1899	2.1444	6.2565	6.2653	3.3897	7.4367	6.4814
C10	2.5058	2.6274	3.1856	1.3968	3.7901	3.4198	2.4006	4.8423	4.3161		4.3161	4.6513	2.7699	6.0510	5.3433	1.3875	5.6368	5.4861	2.4066	6.3907	3.0516	3.3860	4.9474	4.6532	1.0858	3.9645	5.1899	3.8536	6.9130	6.2653	2.1444	6.2565	6.4814	3.3897	7.4367
C11	2.5058	2.6274	3.7901	3.1856	1.3968	4.8423	3.4198	2.4006	4.3161	4.3161		6.0510	4.6513	2.7699	5.6368	5.3433	1.3875	6.3907	5.4861	2.4066	4.9474	3.0516	3.3860	3.9645	4.6532	1.0858	6.9130	5.1899	3.8536	6.2565	6.2653	2.1444	7.4367	6.4814	3.3897
C12	3.8357	4.4720	2.4178	4.3060	4.6875	1.3935	4.9647	4.5398	2.7699	4.6513	6.0510		5.8085	5.8085	2.4031	5.5442	7.0522	1.3888	6.0695	6.9520	2.1500	5.1546	3.6705	3.8556	4.5816	6.4732	1.0837	6.5294	6.0597	3.3876	6.1057	8.0765	2.1492	6.9392	7.9200
C13	3.8357	4.4720	4.6875	2.4178	4.3060	4.5398	1.3935	4.9647	6.0510	2.7699	4.6513	5.8085		5.8085	7.0522	2.4031	5.5442	6.9520	1.3888	6.0695	3.6705	2.1500	5.1546	6.4732	3.8556	4.5816	6.0597	1.0837	6.5294	8.0765	3.3876	6.1057	7.9200	2.1492	6.9392
C14	3.8357	4.4720	4.3060	4.6875	2.4178	4.9647	4.5398	1.3935	4.6513	6.0510	2.7699	5.8085	5.8085		5.5442	7.0522	2.4031	6.0695	6.9520	1.3888	5.1546	3.6705	2.1500	4.5816	6.4732	3.8556	6.5294	6.0597	1.0837	6.1057	8.0765	3.3876	6.9392	7.9200	2.1492
C15	3.7969	3.9804	2.4228	4.9338	4.4422	2.7808	5.9197	4.3898	1.3875	5.3433	5.6368	2.4031	7.0522	5.5442		6.5741	6.5741	1.3923	7.3412	6.5377	3.8650	6.0133	3.7566	2.1468	4.9358	6.0321	3.3870	7.8841	5.8688	1.0837	7.1085	7.5288	2.1517	8.3399	7.4718
C16	3.7969	3.9804	4.4422	2.4228	4.9338	4.3898	2.7808	5.9197	5.6368	1.3875	5.3433	5.5442	2.4031	7.0522	6.5741		6.5741	6.5377	1.3923	7.3412	3.7566	3.8650	6.0133	6.0321	2.1468	4.9358	5.8688	3.3870	7.8841	7.5288	1.0837	7.1085	7.4718	2.1517	8.3399
C17	3.7969	3.9804	4.9338	4.4422	2.4228	5.9197	4.3898	2.7808	5.3433	5.6368	1.3875	7.0522	5.5442	2.4031	6.5741	6.5741		7.3412	6.5377	1.3923	6.0133	3.7566	3.8650	4.9358	6.0321	2.1468	7.8841	5.8688	3.3870	7.1085	7.5288	1.0837	8.3399	7.4718	2.1517
C18	4.3220	4.7382	2.8009	5.1453	5.0695	2.4144	5.9735	4.8753	2.4066	5.4861	6.3907	1.3888	6.9520	6.0695	1.3923	6.5377	7.3412		7.2061	7.2061	3.3943	6.1029	4.0271	3.3909	5.2005	6.8261	2.1467	7.7210	6.2748	2.1516	7.0455	8.3529	1.0835	8.1247	8.1402
C19	4.3220	4.7382	5.0695	2.8009	5.1453	4.8753	2.4144	5.9735	6.3907	2.4066	5.4861	6.0695	1.3888	6.9520	7.3412	1.3923	6.5377	7.2061		7.2061	4.0271	3.3943	6.1029	6.8261	3.3909	5.2005	6.2748	2.1467	7.7210	8.3529	2.1516	7.0455	8.1402	1.0835	8.1247
C20	4.3220	4.7382	5.1453	5.0695	2.8009	5.9735	4.8753	2.4144	5.4861	6.3907	2.4066	6.9520	6.0695	1.3888	6.5377	7.3412	1.3923	7.2061	7.2061		6.1029	4.0271	3.3943	5.2005	6.8261	3.3909	7.7210	6.2748	2.1467	7.0455	8.3529	2.1516	8.1247	8.1402	1.0835
H21	2.7811	3.6591	2.1480	2.5714	3.7111	1.0842	2.9495	3.8583	3.3860	3.0516	4.9474	2.1500	3.6705	5.1546	3.8650	3.7566	6.0133	3.3943	4.0271	6.1029		3.2926	3.2926	4.2805	3.4368	5.2718	2.4690	4.3893	5.6137	4.9486	4.5175	6.9718	4.2891	4.9151	7.1090
H22	2.7811	3.6591	3.7111	2.1480	2.5714	3.8583	1.0842	2.9495	4.9474	3.3860	3.0516	5.1546	2.1500	3.6705	6.0133	3.8650	3.7566	6.1029	3.3943	4.0271	3.2926		3.2926	5.2718	4.2805	3.4368	5.6137	2.4690	4.3893	6.9718	4.9486	4.5175	7.1090	4.2891	4.9151
H23	2.7811	3.6591	2.5714	3.7111	2.1480	2.9495	3.8583	1.0842	3.0516	4.9474	3.3860	3.6705	5.1546	2.1500	3.7566	6.0133	3.8650	4.0271	6.1029	3.3943	3.2926	3.2926		3.4368	5.2718	4.2805	4.3893	5.6137	2.4690	4.5175	6.9718	4.9486	4.9151	7.1090	4.2891
H24	2.6732	2.4406	2.1457	4.1115	3.1077	3.3824	5.2089	3.5108	1.0858	4.6532	3.9645	3.8556	6.4732	4.5816	2.1468	6.0321	4.9358	3.3909	6.8261	5.2005	4.2805	5.2718	3.4368		4.2272	4.2272	4.9394	7.3454	5.2139	2.4698	6.6409	5.7604	4.2872	7.8929	6.1613
H25	2.6732	2.4406	3.1077	2.1457	4.1115	3.5108	3.3824	5.2089	3.9645	1.0858	4.6532	4.5816	3.8556	6.4732	4.9358	2.1468	6.0321	5.2005	3.3909	6.8261	3.4368	4.2805	5.2718	4.2272		4.2272	5.2139	4.9394	7.3454	5.7604	2.4698	6.6409	6.1613	4.2872	7.8929
H26	2.6732	2.4406	4.1115	3.1077	2.1457	5.2089	3.5108	3.3824	4.6532	3.9645	1.0858	6.4732	4.5816	3.8556	6.0321	4.9358	2.1468	6.8261	5.2005	3.3909	5.2718	3.4368	4.2805	4.2272	4.2272		7.3454	5.2139	4.9394	6.6409	5.7604	2.4698	7.8929	6.1613	4.2872
H27	4.7072	5.4100	3.3958	4.9301	5.5449	2.1468	5.4073	5.3156	3.8536	5.1899	6.9130	1.0837	6.0597	6.5294	3.3870	5.8688	7.8841	2.1467	6.2748	7.7210	2.4690	5.6137	4.3893	4.9394	5.2139	7.3454		6.6869	6.6869	4.2859	6.3762	8.9176	2.4765	7.0316	8.6592
H28	4.7072	5.4100	5.5449	3.3958	4.9301	5.3156	2.1468	5.4073	6.9130	3.8536	5.1899	6.5294	1.0837	6.0597	7.8841	3.3870	5.8688	7.7210	2.1467	6.2748	4.3893	2.4690	5.6137	7.3454	4.9394	5.2139	6.6869		6.6869	8.9176	4.2859	6.3762	8.6592	2.4765	7.0316
H29	4.7072	5.4100	4.9301	5.5449	3.3958	5.4073	5.3156	2.1468	5.1899	6.9130	3.8536	6.0597	6.5294	1.0837	5.8688	7.8841	3.3870	6.2748	7.7210	2.1467	5.6137	4.3893	2.4690	5.2139	7.3454	4.9394	6.6869	6.6869		6.3762	8.9176	4.2859	7.0316	8.6592	2.4765
H30	4.6499	4.6740	3.4014	5.8855	5.1716	3.8644	6.9112	5.0858	2.1444	6.2653	6.2565	3.3876	8.0765	6.1057	1.0837	7.5288	7.1085	2.1516	8.3529	7.0455	4.9486	6.9718	4.5175	2.4698	5.7604	6.6409	4.2859	8.9176	6.3762		8.0167	8.0167	2.4818	9.3591	7.9167
H31	4.6499	4.6740	5.1716	3.4014	5.8855	5.0858	3.8644	6.9112	6.2565	2.1444	6.2653	6.1057	3.3876	8.0765	7.1085	1.0837	7.5288	7.0455	2.1516	8.3529	4.5175	4.9486	6.9718	6.6409	2.4698	5.7604	6.3762	4.2859	8.9176	8.0167		8.0167	7.9167	2.4818	9.3591
H32	4.6499	4.6740	5.8855	5.1716	3.4014	6.9112	5.0858	3.8644	6.2653	6.2565	2.1444	8.0765	6.1057	3.3876	7.5288	7.1085	1.0837	8.3529	7.0455	2.1516	6.9718	4.5175	4.9486	5.7604	6.6409	2.4698	8.9176	6.3762	4.2859	8.0167	8.0167		9.3591	7.9167	2.4818
H33	5.4054	5.7984	3.8844	6.1997	6.1138	3.3969	6.9929	5.8208	3.3897	6.4814	7.4367	2.1492	7.9200	6.9392	2.1517	7.4718	8.3399	1.0835	8.1402	8.1247	4.2891	7.1090	4.9151	4.2872	6.1613	7.8929	2.4765	8.6592	7.0316	2.4818	7.9167	9.3591		9.0151	9.0151
H34	5.4054	5.7984	6.1138	3.8844	6.1997	5.8208	3.3969	6.9929	7.4367	3.3897	6.4814	6.9392	2.1492	7.9200	8.3399	2.1517	7.4718	8.1247	1.0835	8.1402	4.9151	4.2891	7.1090	7.8929	4.2872	6.1613	7.0316	2.4765	8.6592	9.3591	2.4818	7.9167	9.0151		9.0151
H35	5.4054	5.7984	6.1997	6.1138	3.8844	6.9929	5.8208	3.3969	6.4814	7.4367	3.3897	7.9200	6.9392	2.1492	7.4718	8.3399	2.1517	8.1402	8.1247	1.0835	7.1090	4.9151	4.2891	6.1613	7.8929	4.2872	8.6592	7.0316	2.4765	7.9167	9.3591	2.4818	9.0151	9.0151

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	123.014	C1	C3	C9	118.192
C1	C4	C7	123.014	C1	C4	C10	118.192
C1	C5	C8	123.014	C1	C5	C11	118.192
H2	C1	C3	106.157	H2	C1	C4	106.157
H2	C1	C5	106.157	C3	C1	C4	112.572
C3	C1	C5	112.572	C3	C6	C12	120.390
C3	C6	H21	119.738	C3	C9	C15	120.957
C3	C9	H24	119.084	C4	C1	C5	112.572
C4	C7	C13	120.390	C4	C7	H22	119.738
C4	C10	C16	120.957	C4	C10	H25	119.084
C5	C8	C14	120.390	C5	C8	H23	119.738
C5	C11	C17	120.957	C5	C11	H26	119.084
C6	C3	C9	118.757	C6	C12	C18	120.395
C6	C12	H27	119.607	C7	C4	C10	118.757
C7	C13	C19	120.395	C7	C13	H28	119.607
C8	C5	C11	118.757	C8	C14	C20	120.395
C8	C14	H29	119.607	C9	C15	C18	119.939
C9	C15	H30	119.891	C10	C16	C19	119.939
C10	C16	H31	119.891	C11	C17	C20	119.939
C11	C17	H32	119.891	C12	C5	H21	26.551
C12	C18	C15	119.561	C12	C18	H33	120.249
C13	C7	H22	119.870	C13	C19	C16	119.561
C13	C19	H34	120.249	C14	C8	H23	119.870
C14	C20	C17	119.561	C14	C20	H35	120.249
C15	C9	H24	119.957	C15	C18	H33	120.189
C16	C10	H25	119.957	C16	C19	H34	120.189
C17	C11	H26	119.957	C17	C20	H35	120.189
C18	C12	H27	119.997	C18	C15	H30	120.170
C19	C13	H28	119.997	C19	C16	H31	120.170
C20	C14	H29	119.997	C20	C17	H32	120.170

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at M06-2X/6-311G** Charges (e)

Number	Element	Mulliken
1	C	-0.202
2	H	0.195
3	C	-0.125
4	C	-0.125
5	C	-0.125
6	C	-0.079
7	C	-0.079
8	C	-0.079
9	C	-0.070
10	C	-0.070
11	C	-0.070
12	C	-0.128
13	C	-0.128
14	C	-0.128
15	C	-0.122
16	C	-0.122
17	C	-0.122
18	C	-0.122
19	C	-0.122
20	C	-0.122
21	H	0.142
22	H	0.142
23	H	0.142
24	H	0.128
25	H	0.128
26	H	0.128
27	H	0.126
28	H	0.126
29	H	0.126
30	H	0.126
31	H	0.126
32	H	0.126
33	H	0.125
34	H	0.125
35	H	0.125

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	-0.018	0.018
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-105.630	0.000	0.000
y	0.000	-105.630	0.000
z	0.000	0.000	-107.278

Traceless
	x	y	z
x	0.824	0.000	0.000
y	0.000	0.824	0.000
z	0.000	0.000	-1.648

Polar
3z²-r²	-3.296
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	31.436	-0.012	-0.015
y	-0.012	31.449	0.050
z	-0.015	0.050	22.947

<r²> (average value of r²) Å²

<r²>	1389.394
(<r²>)^1/2	37.275

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: M06-2X/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)