CCCBDB calculation results Page

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

Energy calculated at B3LYP/6-311G**

	hartrees
Energy at 0K	-733.837445
Energy at 298.15K
HF Energy	-733.837445
Nuclear repulsion energy	1281.447741

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 B3LYP/6-311G**

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3084	8.51
2	A	3183	3077	10.56
3	A	3172	3067	44.66
4	A	3162	3057	0.01
5	A	3153	3049	4.76
6	A	3019	2919	9.79
7	A	1648	1593	0.02
8	A	1622	1568	3.52
9	A	1527	1476	1.17
10	A	1478	1429	12.04
11	A	1356	1311	1.81
12	A	1319	1275	0.36
13	A	1206	1166	0.47
14	A	1181	1142	0.00
15	A	1181	1142	0.05
16	A	1107	1070	12.36
17	A	1051	1016	0.13
18	A	1018	984	0.07
19	A	1002	969	0.04
20	A	983	950	0.02
21	A	938	907	1.11
22	A	861	832	0.00
23	A	832	804	2.60
24	A	746	721	23.52
25	A	717	693	31.44
26	A	675	653	4.42
27	A	634	613	0.54
28	A	479	463	3.21
29	A	418	404	0.01
30	A	269	260	0.08
31	A	213	206	0.40
32	A	88	85	0.24
33	A	42	40	0.00
34	E	3189	3083	17.04
34	E	3189	3083	17.03
35	E	3182	3077	33.24
35	E	3182	3077	33.22
36	E	3172	3066	11.14
36	E	3172	3066	11.13
37	E	3162	3057	0.45
37	E	3162	3057	0.45
38	E	3153	3048	5.76
38	E	3153	3048	5.76
39	E	1642	1588	11.85
39	E	1642	1588	11.85
40	E	1626	1572	0.48
40	E	1626	1572	0.48
41	E	1526	1475	24.12
41	E	1526	1475	24.12
42	E	1485	1435	4.72
42	E	1485	1435	4.72
43	E	1368	1322	0.08
43	E	1368	1322	0.07
44	E	1346	1301	1.76
44	E	1346	1301	1.76
45	E	1276	1233	2.38
45	E	1276	1233	2.38
46	E	1208	1168	0.93
46	E	1208	1168	0.94
47	E	1202	1162	0.74
47	E	1202	1162	0.74
48	E	1182	1142	0.02
48	E	1182	1142	0.02
49	E	1102	1066	0.52
49	E	1102	1066	0.52
50	E	1053	1018	8.85
50	E	1053	1018	8.85
51	E	1019	985	1.27
51	E	1019	985	1.27
52	E	1001	968	0.03
52	E	1001	968	0.03
53	E	982	949	0.05
53	E	982	949	0.05
54	E	937	906	1.83
54	E	937	906	1.83
55	E	876	846	0.94
55	E	876	846	0.94
56	E	858	829	0.02
56	E	858	829	0.02
57	E	772	746	19.40
57	E	772	746	19.40
58	E	717	693	45.46
58	E	717	693	45.45
59	E	638	617	3.20
59	E	638	617	3.20
60	E	621	600	15.34
60	E	621	600	15.33
61	E	506	489	4.27
61	E	506	489	4.27
62	E	415	401	0.18
62	E	415	401	0.18
63	E	298	288	0.54
63	E	298	288	0.54
64	E	233	225	0.59
64	E	233	225	0.59
65	E	63	61	0.14
65	E	63	61	0.14
66	E	28	27	0.04
66	E	28	27	0.04

Unscaled Zero Point Vibrational Energy (zpe) 63566.3 cm^-1
Scaled (by 0.9668) Zero Point Vibrational Energy (zpe) 61455.9 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 B3LYP/6-311G**

A	B	C
0.01289	0.01289	0.00753

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

Geometric Data calculated at B3LYP/6-311G**

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.736
H2	0.000	0.000	1.832
C3	0.000	1.474	0.321
C4	1.276	-0.737	0.321
C5	-1.276	-0.737	0.321
C6	0.688	1.944	-0.800
C7	1.339	-1.568	-0.800
C8	-2.027	-0.376	-0.800
C9	-0.736	2.390	1.082
C10	2.438	-0.558	1.082
C11	-1.702	-1.833	1.082
C12	0.635	3.292	-1.156
C13	2.533	-2.195	-1.156
C14	-3.168	-1.096	-1.156
C15	-0.789	3.736	0.732
C16	3.630	-1.185	0.732
C17	-2.841	-2.551	0.732
C18	-0.103	4.192	-0.393
C19	3.682	-2.007	-0.393
C20	-3.579	-2.185	-0.393
H21	1.279	1.257	-1.395
H22	0.449	-1.736	-1.395
H23	-1.728	0.479	-1.395
H24	-1.277	2.042	1.956
H25	2.407	0.085	1.956
H26	-1.130	-2.127	1.956
H27	1.177	3.637	-2.030
H28	2.561	-2.838	-2.030
H29	-3.738	-0.799	-2.030
H30	-1.362	4.428	1.338
H31	4.516	-1.035	1.338
H32	-3.154	-3.394	1.338
H33	-0.140	5.240	-0.667
H34	4.608	-2.499	-0.667
H35	-4.469	-2.741	-0.667

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		1.0959	1.5310	1.5310	1.5310	2.5716	2.5716	2.5716	2.5249	2.5249	2.5249	3.8497	3.8497	3.8497	3.8180	3.8180	3.8180	4.3428	4.3428	4.3428	2.7852	2.7852	2.7852	2.7000	2.7000	2.7000	4.7182	4.7182	4.7182	4.6721	4.6721	4.6721	5.4270	5.4270	5.4270
H2	1.0959		2.1107	2.1107	2.1107	3.3439	3.3439	3.3439	2.6113	2.6113	2.6113	4.4910	4.4910	4.4910	3.9734	3.9734	3.9734	4.7473	4.7473	4.7473	3.6918	3.6918	3.6918	2.4119	2.4119	2.4119	5.4337	5.4337	5.4337	4.6595	4.6595	4.6595	5.8077	5.8077	5.8077
C3	1.5310	2.1107		2.5524	2.5524	1.3972	3.5074	2.9647	1.4003	3.2634	3.7958	2.4271	4.6971	4.3387	2.4305	4.5176	4.9432	2.8126	5.1168	5.1678	2.1510	3.6672	2.6307	2.1512	3.2243	4.1130	3.4045	5.5383	4.9662	3.4088	5.2652	5.8885	3.8968	6.1642	6.2217
C4	1.5310	2.1107	2.5524		2.5524	2.9647	1.3972	3.5074	3.7958	1.4003	3.2634	4.3387	2.4271	4.6971	4.9432	2.4305	4.5176	5.1678	2.8126	5.1168	2.6307	2.1510	3.6672	4.1130	2.1512	3.2243	4.9662	3.4045	5.5383	5.8885	3.4088	5.2652	6.2217	3.8968	6.1642
C5	1.5310	2.1107	2.5524	2.5524		3.5074	2.9647	1.3972	3.2634	3.7958	1.4003	4.6971	4.3387	2.4271	4.5176	4.9432	2.4305	5.1168	5.1678	2.8126	3.6672	2.6307	2.1510	3.2243	4.1130	2.1512	5.5383	4.9662	3.4045	5.2652	5.8885	3.4088	6.1642	6.2217	3.8968
C6	2.5716	3.3439	1.3972	2.9647	3.5074		3.5715	3.5715	2.4021	3.5865	4.8495	1.3951	4.5460	4.9233	2.7818	4.5593	5.9162	2.4178	4.9737	5.9517	1.0836	3.7352	2.8874	3.3867	3.7429	5.2418	2.1485	5.2805	5.3501	3.8663	5.3009	6.9155	3.4014	5.9268	6.9682
C7	2.5716	3.3439	3.5074	1.3972	2.9647	3.5715		3.5715	4.8495	2.4021	3.5865	4.9233	1.3951	4.5460	5.9162	2.7818	4.5592	5.9517	2.4178	4.9737	2.8874	1.0836	3.7352	5.2418	3.3867	3.7429	5.3501	2.1485	5.2805	6.9155	3.8663	5.3009	6.9682	3.4014	5.9268
C8	2.5716	3.3439	2.9647	3.5074	1.3972	3.5715	3.5715		3.5865	4.8495	2.4021	4.5460	4.9233	1.3951	4.5593	5.9162	2.7818	4.9737	5.9517	2.4178	3.7352	2.8874	1.0836	3.7429	5.2418	3.3867	5.2805	5.3501	2.1485	5.3009	6.9155	3.8663	5.9268	6.9682	3.4014
C9	2.5249	2.6113	1.4003	3.7958	3.2634	2.4021	4.8495	3.5865		4.3322	4.3322	2.7749	6.0604	4.8041	1.3910	5.6536	5.3822	2.4130	6.4056	5.5850	3.3879	4.9564	3.2820	1.0856	3.9950	4.6183	3.8594	6.9199	5.3724	2.1474	6.2757	6.2744	3.3968	7.4519	6.5819
C10	2.5249	2.6113	3.2634	1.4003	3.7958	3.5865	2.4021	4.8495	4.3322		4.3322	4.8041	2.7749	6.0604	5.3822	1.3910	5.6536	5.5850	2.4130	6.4056	3.2820	3.3879	4.9564	4.6183	1.0856	3.9950	5.3724	3.8594	6.9199	6.2744	2.1474	6.2757	6.5819	3.3968	7.4519
C11	2.5249	2.6113	3.7958	3.2634	1.4003	4.8495	3.5865	2.4021	4.3322	4.3322		6.0604	4.8041	2.7749	5.6536	5.3822	1.3910	6.4056	5.5850	2.4130	4.9564	3.2820	3.3879	3.9950	4.6183	1.0856	6.9199	5.3724	3.8594	6.2757	6.2744	2.1474	7.4519	6.5819	3.3968
C12	3.8497	4.4910	2.4271	4.3387	4.6971	1.3951	4.9233	4.5460	2.7749	4.8041	6.0604		5.8065	5.8065	2.4056	5.7072	7.0554	1.3917	6.1600	6.9522	2.1475	5.0368	3.6812	3.8604	4.8075	6.4935	1.0846	6.4842	6.0511	3.3910	6.3251	8.0791	2.1530	7.0403	7.9168
C13	3.8497	4.4910	4.6971	2.4271	4.3387	4.5460	1.3951	4.9233	6.0604	2.7749	4.8041	5.8065		5.8065	7.0554	2.4056	5.7072	6.9522	1.3917	6.1600	3.6812	2.1475	5.0368	6.4935	3.8604	4.8075	6.0511	1.0846	6.4842	8.0791	3.3910	6.3251	7.9168	2.1530	7.0403
C14	3.8497	4.4910	4.3387	4.6971	2.4271	4.9233	4.5460	1.3951	4.8041	6.0604	2.7749	5.8065	5.8065		5.7072	7.0554	2.4056	6.1600	6.9522	1.3917	5.0368	3.6812	2.1475	4.8075	6.4935	3.8604	6.4842	6.0511	1.0846	6.3251	8.0791	3.3910	7.0403	7.9168	2.1530
C15	3.8180	3.9734	2.4305	4.9432	4.5176	2.7818	5.9162	4.5593	1.3910	5.3822	5.6536	2.4056	7.0554	5.7072		6.6129	6.6129	1.3943	7.3641	6.6412	3.8652	5.9994	4.0013	2.1460	5.0041	5.9990	3.3911	7.8775	6.0732	1.0845	7.1601	7.5359	2.1549	8.3642	7.5792
C16	3.8180	3.9734	4.5176	2.4305	4.9432	4.5593	2.7818	5.9162	5.6536	1.3910	5.3822	5.7072	2.4056	7.0554	6.6129		6.6129	6.6412	1.3943	7.3641	4.0013	3.8652	5.9994	5.9990	2.1460	5.0041	6.0732	3.3911	7.8775	7.5359	1.0845	7.1601	7.5792	2.1549	8.3642
C17	3.8180	3.9734	4.9432	4.5176	2.4305	5.9162	4.5592	2.7818	5.3822	5.6536	1.3910	7.0554	5.7072	2.4056	6.6129	6.6129		7.3641	6.6412	1.3943	5.9994	4.0013	3.8652	5.0041	5.9990	2.1460	7.8775	6.0732	3.3911	7.1601	7.5359	1.0845	8.3642	7.5792	2.1549
C18	4.3428	4.7473	2.8126	5.1678	5.1168	2.4178	5.9517	4.9737	2.4130	5.5850	6.4056	1.3917	6.9522	6.1600	1.3943	6.6412	7.3641		7.2631	7.2631	3.3951	6.0374	4.1752	3.3941	5.3561	6.8197	2.1507	7.6937	6.3876	2.1535	7.1870	8.3577	1.0842	8.1881	8.1977
C19	4.3428	4.7473	5.1168	2.8126	5.1678	4.9737	2.4178	5.9517	6.4056	2.4130	5.5850	6.1600	1.3917	6.9522	7.3641	1.3943	6.6412	7.2631		7.2631	4.1752	3.3951	6.0374	6.8197	3.3941	5.3561	6.3876	2.1507	7.6937	8.3577	2.1535	7.1870	8.1977	1.0842	8.1881
C20	4.3428	4.7473	5.1678	5.1168	2.8126	5.9517	4.9737	2.4178	5.5850	6.4056	2.4130	6.9522	6.1600	1.3917	6.6412	7.3641	1.3943	7.2631	7.2631		6.0374	4.1752	3.3951	5.3561	6.8197	3.3941	7.6937	6.3876	2.1507	7.1870	8.3577	2.1535	8.1881	8.1977	1.0842
H21	2.7852	3.6918	2.1510	2.6307	3.6672	1.0836	2.8874	3.7352	3.3879	3.2820	4.9564	2.1475	3.6812	5.0368	3.8652	4.0013	5.9994	3.3951	4.1752	6.0374		3.1058	3.1058	4.2870	3.7251	5.3371	2.4649	4.3376	5.4587	4.9497	4.8169	6.9821	4.2904	5.0720	7.0389
H22	2.7852	3.6918	3.6672	2.1510	2.6307	3.7352	1.0836	2.8874	4.9564	3.3879	3.2820	5.0368	2.1475	3.6812	5.9994	3.8652	4.0013	6.0374	3.3951	4.1752	3.1058		3.1058	5.3371	4.2870	3.7251	5.4587	2.4649	4.3376	6.9821	4.9497	4.8169	7.0389	4.2904	5.0720
H23	2.7852	3.6918	2.6307	3.6672	2.1510	2.8874	3.7352	1.0836	3.2820	4.9564	3.3879	3.6812	5.0368	2.1475	4.0013	5.9994	3.8652	4.1752	6.0374	3.3951	3.1058	3.1058		3.7251	5.3371	4.2870	4.3376	5.4587	2.4649	4.8169	6.9821	4.9497	5.0720	7.0389	4.2904
H24	2.7000	2.4119	2.1512	4.1130	3.2243	3.3867	5.2418	3.7429	1.0856	4.6183	3.9950	3.8604	6.4935	4.8075	2.1460	5.9990	5.0041	3.3941	6.8197	5.3561	4.2870	5.3371	3.7251		4.1721	4.1721	4.9450	7.3778	5.4785	2.4665	6.5889	5.7840	4.2902	7.8833	6.3204
H25	2.7000	2.4119	3.2243	2.1512	4.1130	3.7429	3.3867	5.2418	3.9950	1.0856	4.6183	4.8075	3.8604	6.4935	5.0041	2.1460	5.9990	5.3561	3.3941	6.8197	3.7251	4.2870	5.3371	4.1721		4.1721	5.4785	4.9450	7.3778	5.7840	2.4665	6.5889	6.3204	4.2902	7.8833
H26	2.7000	2.4119	4.1130	3.2243	2.1512	5.2418	3.7429	3.3867	4.6183	3.9950	1.0856	6.4935	4.8075	3.8604	5.9990	5.0041	2.1460	6.8197	5.3561	3.3941	5.3371	3.7251	4.2870	4.1721	4.1721		7.3778	5.4785	4.9450	6.5889	5.7840	2.4665	7.8833	6.3204	4.2902
H27	4.7182	5.4337	3.4045	4.9662	5.5383	2.1485	5.3501	5.2805	3.8594	5.3724	6.9199	1.0846	6.0511	6.4842	3.3911	6.0732	7.8775	2.1507	6.3876	7.6937	2.4649	5.4587	4.3376	4.9450	5.4785	7.3778		6.6207	6.6207	4.2913	6.6567	8.9179	2.4822	7.1609	8.6259
H28	4.7182	5.4337	5.5383	3.4045	4.9662	5.2805	2.1485	5.3501	6.9199	3.8594	5.3724	6.4842	1.0846	6.0511	7.8775	3.3911	6.0732	7.6937	2.1507	6.3876	4.3376	2.4649	5.4587	7.3778	4.9450	5.4785	6.6207		6.6207	8.9179	4.2913	6.6567	8.6259	2.4822	7.1609
H29	4.7182	5.4337	4.9662	5.5383	3.4045	5.3501	5.2805	2.1485	5.3724	6.9199	3.8594	6.0511	6.4842	1.0846	6.0732	7.8775	3.3911	6.3876	7.6937	2.1507	5.4587	4.3376	2.4649	5.4785	7.3778	4.9450	6.6207	6.6207		6.6567	8.9179	4.2913	7.1609	8.6259	2.4822
H30	4.6721	4.6595	3.4088	5.8885	5.2652	3.8663	6.9155	5.3009	2.1474	6.2744	6.2757	3.3910	8.0791	6.3251	1.0845	7.5359	7.1601	2.1535	8.3577	7.1870	4.9497	6.9821	4.8169	2.4665	5.7840	6.5889	4.2913	8.9179	6.6567		8.0249	8.0249	2.4850	9.3626	8.0669
H31	4.6721	4.6595	5.2652	3.4088	5.8885	5.3009	3.8663	6.9155	6.2757	2.1474	6.2744	6.3251	3.3910	8.0791	7.1601	1.0845	7.5359	7.1870	2.1535	8.3577	4.8169	4.9497	6.9821	6.5889	2.4665	5.7840	6.6567	4.2913	8.9179	8.0249		8.0249	8.0669	2.4850	9.3626
H32	4.6721	4.6595	5.8885	5.2652	3.4088	6.9155	5.3009	3.8663	6.2744	6.2757	2.1474	8.0791	6.3251	3.3910	7.5359	7.1601	1.0845	8.3577	7.1870	2.1535	6.9821	4.8169	4.9497	5.7840	6.5889	2.4665	8.9179	6.6567	4.2913	8.0249	8.0249		9.3626	8.0669	2.4850
H33	5.4270	5.8077	3.8968	6.2217	6.1642	3.4014	6.9682	5.9268	3.3968	6.5819	7.4519	2.1530	7.9168	7.0403	2.1549	7.5792	8.3642	1.0842	8.1977	8.1881	4.2904	7.0389	5.0720	4.2902	6.3204	7.8833	2.4822	8.6259	7.1609	2.4850	8.0669	9.3626		9.0799	9.0799
H34	5.4270	5.8077	6.1642	3.8968	6.2217	5.9268	3.4014	6.9682	7.4519	3.3968	6.5819	7.0403	2.1530	7.9168	8.3642	2.1549	7.5792	8.1881	1.0842	8.1977	5.0720	4.2904	7.0389	7.8833	4.2902	6.3204	7.1609	2.4822	8.6259	9.3626	2.4850	8.0669	9.0799		9.0799
H35	5.4270	5.8077	6.2217	6.1642	3.8968	6.9682	5.9268	3.4014	6.5819	7.4519	3.3968	7.9168	7.0403	2.1530	7.5792	8.3642	2.1549	8.1977	8.1881	1.0842	7.0389	5.0720	4.2904	6.3204	7.8833	4.2902	8.6259	7.1609	2.4822	8.0669	9.3626	2.4850	9.0799	9.0799

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.792	C1	C3	C9	118.869
C1	C4	C7	122.792	C1	C4	C10	118.869
C1	C5	C8	122.792	C1	C5	C11	118.869
H2	C1	C3	105.734	H2	C1	C4	105.734
H2	C1	C5	105.734	C3	C1	C4	112.935
C3	C1	C5	112.935	C3	C6	C12	120.734
C3	C6	H21	119.708	C3	C9	C15	121.082
C3	C9	H24	119.313	C4	C1	C5	112.935
C4	C7	C13	120.734	C4	C7	H22	119.708
C4	C10	C16	121.082	C4	C10	H25	119.313
C5	C8	C14	120.734	C5	C8	H23	119.708
C5	C11	C17	121.082	C5	C11	H26	119.313
C6	C3	C9	118.330	C6	C12	C18	120.363
C6	C12	H27	119.572	C7	C4	C10	118.330
C7	C13	C19	120.363	C7	C13	H28	119.572
C8	C5	C11	118.330	C8	C14	C20	120.363
C8	C14	H29	119.572	C9	C15	C18	120.071
C9	C15	H30	119.811	C10	C16	C19	120.071
C10	C16	H31	119.811	C11	C17	C20	120.071
C11	C17	H32	119.811	C12	C5	H21	26.243
C12	C18	C15	119.420	C12	C18	H33	120.311
C13	C7	H22	119.555	C13	C19	C16	119.420
C13	C19	H34	120.311	C14	C8	H23	119.555
C14	C20	C17	119.420	C14	C20	H35	120.311
C15	C9	H24	119.605	C15	C18	H33	120.269
C16	C10	H25	119.605	C16	C19	H34	120.269
C17	C11	H26	119.605	C17	C20	H35	120.269
C18	C12	H27	120.064	C18	C15	H30	120.118
C19	C13	H28	120.064	C19	C16	H31	120.118
C20	C14	H29	120.064	C20	C17	H32	120.118

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at B3LYP/6-311G** Charges (e)

Number	Element	Mulliken
1	C	-0.082
2	H	0.131
3	C	-0.107
4	C	-0.107
5	C	-0.107
6	C	-0.062
7	C	-0.062
8	C	-0.062
9	C	-0.042
10	C	-0.042
11	C	-0.042
12	C	-0.093
13	C	-0.093
14	C	-0.093
15	C	-0.090
16	C	-0.090
17	C	-0.090
18	C	-0.089
19	C	-0.089
20	C	-0.089
21	H	0.103
22	H	0.103
23	H	0.103
24	H	0.086
25	H	0.086
26	H	0.086
27	H	0.093
28	H	0.093
29	H	0.093
30	H	0.093
31	H	0.093
32	H	0.093
33	H	0.093
34	H	0.093
35	H	0.093

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	0.052	0.052
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-107.093	0.000	0.000
y	0.000	-107.093	0.000
z	0.000	0.000	-105.936

Traceless
	x	y	z
x	-0.579	0.000	0.000
y	0.000	-0.579	0.000
z	0.000	0.000	1.157

Polar
3z²-r²	2.315
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	31.757	-0.000	0.000
y	-0.000	31.757	0.000
z	0.000	0.000	24.519

<r²> (average value of r²) Å²

<r²>	1407.720
(<r²>)^1/2	37.520

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: B3LYP/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: B3LYP/6-311G**

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)