CCCBDB calculation results Page

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

Energy calculated at wB97X-D/CEP-121G*

	hartrees
Energy at 0K	-117.104359
Energy at 298.15K
HF Energy	-117.104359
Nuclear repulsion energy	635.626770

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 wB97X-D/CEP-121G*

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3207	3207	13.54
2	A	3199	3199	36.30
3	A	3189	3189	60.54
4	A	3179	3179	0.15
5	A	3167	3167	16.44
6	A	3037	3037	14.76
7	A	1667	1667	0.01
8	A	1639	1639	3.02
9	A	1536	1536	0.81
10	A	1484	1484	9.17
11	A	1353	1353	1.76
12	A	1305	1305	0.04
13	A	1205	1205	0.42
14	A	1190	1190	0.25
15	A	1172	1172	0.01
16	A	1106	1106	16.23
17	A	1048	1048	0.34
18	A	1023	1023	0.02
19	A	1012	1012	0.06
20	A	1007	1007	0.01
21	A	959	959	1.75
22	A	884	884	0.11
23	A	845	845	5.63
24	A	752	752	43.16
25	A	722	722	28.98
26	A	670	670	4.19
27	A	627	627	0.55
28	A	482	482	2.95
29	A	422	422	0.06
30	A	271	271	0.14
31	A	221	221	0.39
32	A	92	92	0.30
33	A	55	55	0.00
34	E	3206	3206	44.66
34	E	3206	3206	44.08
35	E	3199	3199	59.38
35	E	3199	3199	59.42
36	E	3189	3189	17.48
36	E	3189	3189	17.51
37	E	3179	3179	0.18
37	E	3179	3179	0.17
38	E	3167	3167	11.71
38	E	3167	3167	11.56
39	E	1662	1662	14.46
39	E	1662	1662	14.44
40	E	1644	1644	0.48
40	E	1644	1644	0.46
41	E	1537	1537	19.87
41	E	1537	1537	19.87
42	E	1492	1492	5.27
42	E	1492	1492	5.37
43	E	1370	1370	0.38
43	E	1370	1370	0.34
44	E	1338	1338	3.05
44	E	1338	1338	3.12
45	E	1292	1292	1.80
45	E	1292	1292	1.86
46	E	1216	1216	0.42
46	E	1216	1216	0.37
47	E	1203	1203	1.52
47	E	1203	1203	1.47
48	E	1173	1173	0.03
48	E	1173	1173	0.03
49	E	1102	1102	1.29
49	E	1102	1102	1.33
50	E	1050	1050	13.02
50	E	1050	1050	13.00
51	E	1022	1022	0.02
51	E	1022	1022	0.02
52	E	1012	1012	1.13
52	E	1012	1012	1.11
53	E	1005	1005	0.06
53	E	1005	1005	0.06
54	E	953	953	2.47
54	E	953	953	2.50
55	E	883	883	1.28
55	E	882	882	1.31
56	E	879	879	0.54
56	E	879	879	0.60
57	E	780	780	35.63
57	E	780	780	35.68
58	E	721	721	41.37
58	E	721	721	41.35
59	E	631	631	3.58
59	E	631	631	3.53
60	E	616	616	13.57
60	E	615	615	13.60
61	E	507	507	3.94
61	E	507	507	4.00
62	E	418	418	0.21
62	E	418	418	0.21
63	E	304	304	0.66
63	E	303	303	0.64
64	E	236	236	0.61
64	E	236	236	0.63
65	E	66	66	0.18
65	E	66	66	0.18
66	E	39	39	0.03
66	E	39	39	0.03

Unscaled Zero Point Vibrational Energy (zpe) 63949.6 cm^-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 63949.6 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 wB97X-D/CEP-121G*

A	B	C
0.01293	0.01293	0.00753

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

Geometric Data calculated at wB97X-D/CEP-121G*

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.772
H2	0.000	0.000	1.871
C3	0.000	1.472	0.345
C4	1.275	-0.736	0.345
C5	-1.275	-0.736	0.345
C6	0.714	1.936	-0.768
C7	1.320	-1.586	-0.768
C8	-2.034	-0.350	-0.768
C9	-0.784	2.383	1.072
C10	2.455	-0.512	1.072
C11	-1.671	-1.870	1.072
C12	0.642	3.284	-1.149
C13	2.523	-2.198	-1.149
C14	-3.165	-1.086	-1.149
C15	-0.856	3.728	0.699
C16	3.656	-1.123	0.699
C17	-2.801	-2.605	0.699
C18	-0.141	4.184	-0.418
C19	3.694	-1.970	-0.418
C20	-3.553	-2.214	-0.418
H21	1.334	1.248	-1.337
H22	0.413	-1.779	-1.337
H23	-1.747	0.531	-1.337
H24	-1.349	2.030	1.934
H25	2.433	0.154	1.934
H26	-1.083	-2.184	1.934
H27	1.204	3.628	-2.015
H28	2.540	-2.857	-2.015
H29	-3.744	-0.771	-2.015
H30	-1.467	4.418	1.277
H31	4.560	-0.939	1.277
H32	-3.093	-3.479	1.277
H33	-0.192	5.230	-0.712
H34	4.626	-2.449	-0.712
H35	-4.434	-2.782	-0.712

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		1.0994	1.5323	1.5323	1.5323	2.5749	2.5749	2.5749	2.5263	2.5263	2.5263	3.8582	3.8582	3.8582	3.8256	3.8256	3.8256	4.3522	4.3522	4.3522	2.7899	2.7899	2.7899	2.7007	2.7007	2.7007	4.7302	4.7302	4.7302	4.6828	4.6828	4.6828	5.4401	5.4401	5.4401
H2	1.0994		2.1202	2.1202	2.1202	3.3503	3.3503	3.3503	2.6326	2.6326	2.6326	4.5074	4.5074	4.5074	4.0006	4.0006	4.0006	4.7714	4.7714	4.7714	3.6919	3.6919	3.6919	2.4384	2.4384	2.4384	5.4508	5.4508	5.4508	4.6933	4.6933	4.6933	5.8365	5.8365	5.8365
C3	1.5323	2.1202		2.5490	2.5490	1.4015	3.5117	2.9485	1.4048	3.2395	3.8068	2.4348	4.6974	4.3347	2.4389	4.4973	4.9587	2.8212	5.1061	5.1761	2.1585	3.6833	2.6014	2.1584	3.1910	4.1305	3.4156	5.5455	4.9612	3.4208	5.2413	5.9117	3.9091	6.1549	6.2340
C4	1.5323	2.1202	2.5490		2.5490	2.9485	1.4015	3.5117	3.8068	1.4048	3.2395	4.3347	2.4348	4.6974	4.9587	2.4389	4.4973	5.1761	2.8212	5.1061	2.6014	2.1585	3.6833	4.1305	2.1584	3.1910	4.9612	3.4156	5.5455	5.9117	3.4208	5.2413	6.2340	3.9091	6.1549
C5	1.5323	2.1202	2.5490	2.5490		3.5117	2.9485	1.4015	3.2395	3.8068	1.4048	4.6974	4.3347	2.4348	4.4973	4.9587	2.4389	5.1061	5.1761	2.8212	3.6833	2.6014	2.1585	3.1910	4.1305	2.1584	5.5455	4.9612	3.4156	5.2413	5.9117	3.4208	6.1549	6.2340	3.9091
C6	2.5749	3.3503	1.4015	2.9485	3.5117		3.5742	3.5742	2.4144	3.5235	4.8544	1.4023	4.5291	4.9319	2.7974	4.4909	5.9267	2.4303	4.9257	5.9627	1.0875	3.7704	2.8903	3.4013	3.6657	5.2447	2.1577	5.2782	5.3621	3.8854	5.2192	6.9283	3.4169	5.8766	6.9825
C7	2.5749	3.3503	3.5117	1.4015	2.9485	3.5742		3.5742	4.8544	2.4144	3.5235	4.9319	1.4023	4.5291	5.9267	2.7974	4.4909	5.9627	2.4303	4.9257	2.8903	1.0875	3.7704	5.2447	3.4013	3.6657	5.3621	2.1577	5.2782	6.9283	3.8854	5.2192	6.9825	3.4169	5.8766
C8	2.5749	3.3503	2.9485	3.5117	1.4015	3.5742	3.5742		3.5235	4.8544	2.4144	4.5291	4.9319	1.4023	4.4909	5.9267	2.7974	4.9257	5.9627	2.4303	3.7704	2.8903	1.0875	3.6657	5.2447	3.4013	5.2782	5.3621	2.1577	5.2192	6.9283	3.8854	5.8766	6.9825	3.4169
C9	2.5263	2.6326	1.4048	3.8068	3.2395	2.4144	4.8544	3.5235		4.3446	4.3446	2.7891	6.0707	4.7571	1.3980	5.6697	5.3929	2.4246	6.4202	5.5693	3.4028	4.9555	3.1875	1.0897	4.0076	4.6566	3.8771	6.9301	5.3135	2.1569	6.2955	6.3037	3.4119	7.4693	6.5703
C10	2.5263	2.6326	3.2395	1.4048	3.8068	3.5235	2.4144	4.8544	4.3446		4.3446	4.7571	2.7891	6.0707	5.3929	1.3980	5.6697	5.5693	2.4246	6.4202	3.1875	3.4028	4.9555	4.6566	1.0897	4.0076	5.3135	3.8771	6.9301	6.3037	2.1569	6.2955	6.5703	3.4119	7.4693
C11	2.5263	2.6326	3.8068	3.2395	1.4048	4.8544	3.5235	2.4144	4.3446	4.3446		6.0707	4.7571	2.7891	5.6697	5.3929	1.3980	6.4202	5.5693	2.4246	4.9555	3.1875	3.4028	4.0076	4.6566	1.0897	6.9301	5.3135	3.8771	6.2955	6.3037	2.1569	7.4693	6.5703	3.4119
C12	3.8582	4.5074	2.4348	4.3347	4.6974	1.4023	4.9319	4.5291	2.7891	4.7571	6.0707		5.7960	5.7960	2.4195	5.6495	7.0675	1.3992	6.1197	6.9547	2.1590	5.0716	3.6502	3.8787	4.7445	6.5099	1.0881	6.4853	6.0360	3.4082	6.2499	8.0982	2.1623	6.9945	7.9215
C13	3.8582	4.5074	4.6974	2.4348	4.3347	4.5291	1.4023	4.9319	6.0707	2.7891	4.7571	5.7960		5.7960	7.0675	2.4195	5.6495	6.9547	1.3992	6.1197	3.6502	2.1590	5.0716	6.5099	3.8787	4.7445	6.0360	1.0881	6.4853	8.0982	3.4083	6.2499	7.9215	2.1623	6.9945
C14	3.8582	4.5074	4.3347	4.6974	2.4348	4.9319	4.5291	1.4023	4.7571	6.0707	2.7891	5.7960	5.7960		5.6495	7.0675	2.4195	6.1197	6.9547	1.3992	5.0716	3.6502	2.1590	4.7445	6.5099	3.8787	6.4853	6.0360	1.0881	6.2499	8.0982	3.4082	6.9945	7.9215	2.1623
C15	3.8256	4.0006	2.4389	4.9587	4.4973	2.7974	5.9267	4.4909	1.3980	5.3929	5.6697	2.4195	7.0675	5.6495		6.6249	6.6249	1.4021	7.3765	6.6205	3.8848	6.0067	3.8934	2.1571	5.0118	6.0436	3.4083	7.8898	5.9953	1.0880	7.1724	7.5686	2.1649	8.3778	7.5607
C16	3.8256	4.0006	4.4973	2.4389	4.9587	4.4909	2.7974	5.9267	5.6697	1.3980	5.3929	5.6495	2.4195	7.0675	6.6249		6.6249	6.6205	1.4021	7.3765	3.8934	3.8848	6.0067	6.0436	2.1571	5.0118	5.9953	3.4083	7.8898	7.5686	1.0880	7.1724	7.5607	2.1649	8.3778
C17	3.8256	4.0006	4.9587	4.4973	2.4389	5.9267	4.4909	2.7974	5.3929	5.6697	1.3980	7.0675	5.6495	2.4195	6.6249	6.6249		7.3765	6.6205	1.4021	6.0067	3.8934	3.8848	5.0118	6.0436	2.1571	7.8898	5.9953	3.4083	7.1724	7.5686	1.0880	8.3778	7.5607	2.1649
C18	4.3522	4.7714	2.8212	5.1761	5.1061	2.4303	5.9627	4.9257	2.4246	5.5693	6.4202	1.3992	6.9547	6.1197	1.4021	6.6205	7.3765		7.2512	7.2512	3.4123	6.0588	4.0949	3.4107	5.3295	6.8534	2.1609	7.7012	6.3311	2.1641	7.1565	8.3854	1.0879	8.1733	8.1874
C19	4.3522	4.7714	5.1061	2.8212	5.1761	4.9257	2.4303	5.9627	6.4202	2.4246	5.5693	6.1197	1.3992	6.9547	7.3765	1.4021	6.6205	7.2512		7.2512	4.0949	3.4123	6.0588	6.8534	3.4107	5.3295	6.3311	2.1609	7.7012	8.3854	2.1641	7.1565	8.1874	1.0879	8.1733
C20	4.3522	4.7714	5.1761	5.1061	2.8212	5.9627	4.9257	2.4303	5.5693	6.4202	2.4246	6.9547	6.1197	1.3992	6.6205	7.3765	1.4021	7.2512	7.2512		6.0588	4.0949	3.4123	5.3295	6.8534	3.4107	7.7012	6.3311	2.1609	7.1565	8.3854	2.1641	8.1733	8.1874	1.0879
H21	2.7899	3.6919	2.1585	2.6014	3.6833	1.0875	2.8903	3.7704	3.4028	3.1875	4.9555	2.1590	3.6502	5.0716	3.8848	3.8934	6.0067	3.4123	4.0949	6.0588		3.1632	3.1632	4.3030	3.6206	5.3216	2.4781	4.3310	5.5059	4.9729	4.6926	6.9838	4.3108	4.9890	7.0631
H22	2.7899	3.6919	3.6833	2.1585	2.6014	3.7704	1.0875	2.8903	4.9555	3.4028	3.1875	5.0716	2.1590	3.6502	6.0067	3.8848	3.8934	6.0588	3.4123	4.0949	3.1632		3.1632	5.3216	4.3030	3.6206	5.5059	2.4781	4.3310	6.9838	4.9729	4.6926	7.0631	4.3108	4.9890
H23	2.7899	3.6919	2.6014	3.6833	2.1585	2.8903	3.7704	1.0875	3.1875	4.9555	3.4028	3.6502	5.0716	2.1590	3.8934	6.0067	3.8848	4.0949	6.0588	3.4123	3.1632	3.1632		3.6206	5.3216	4.3030	4.3310	5.5059	2.4781	4.6926	6.9838	4.9729	4.9890	7.0631	4.3108
H24	2.7007	2.4384	2.1584	4.1305	3.1910	3.4013	5.2447	3.6657	1.0897	4.6566	4.0076	3.8787	6.5099	4.7445	2.1571	6.0436	5.0118	3.4107	6.8534	5.3295	4.3030	5.3216	3.6206		4.2221	4.2221	4.9667	7.3892	5.4014	2.4801	6.6458	5.8161	4.3107	7.9223	6.2981
H25	2.7007	2.4384	3.1910	2.1584	4.1305	3.6657	3.4013	5.2447	4.0076	1.0897	4.6566	4.7445	3.8787	6.5099	5.0118	2.1571	6.0436	5.3295	3.4107	6.8534	3.6206	4.3030	5.3216	4.2221		4.2221	5.4014	4.9667	7.3892	5.8161	2.4801	6.6458	6.2981	4.3107	7.9223
H26	2.7007	2.4384	4.1305	3.1910	2.1584	5.2447	3.6657	3.4013	4.6566	4.0076	1.0897	6.5099	4.7445	3.8787	6.0436	5.0118	2.1571	6.8534	5.3295	3.4107	5.3216	3.6206	4.3030	4.2221	4.2221		7.3892	5.4014	4.9667	6.6458	5.8161	2.4801	7.9223	6.2981	4.3107
H27	4.7302	5.4508	3.4156	4.9612	5.5455	2.1577	5.3621	5.2782	3.8771	5.3135	6.9301	1.0881	6.0360	6.4853	3.4083	5.9953	7.8898	2.1609	6.3311	7.7012	2.4781	5.5059	4.3310	4.9667	5.4014	7.3892		6.6204	6.6204	4.3118	6.5535	8.9336	2.4934	7.0942	8.6349
H28	4.7302	5.4508	5.5455	3.4156	4.9612	5.2782	2.1577	5.3621	6.9301	3.8771	5.3135	6.4853	1.0881	6.0360	7.8898	3.4083	5.9953	7.7012	2.1609	6.3311	4.3310	2.4781	5.5059	7.3892	4.9667	5.4014	6.6204		6.6204	8.9336	4.3118	6.5535	8.6349	2.4934	7.0942
H29	4.7302	5.4508	4.9612	5.5455	3.4156	5.3621	5.2782	2.1577	5.3135	6.9301	3.8771	6.0360	6.4853	1.0881	5.9953	7.8898	3.4083	6.3311	7.7012	2.1609	5.5059	4.3310	2.4781	5.4014	7.3892	4.9667	6.6204	6.6204		6.5535	8.9336	4.3118	7.0942	8.6349	2.4934
H30	4.6828	4.6933	3.4208	5.9117	5.2413	3.8854	6.9283	5.2192	2.1569	6.3037	6.2955	3.4082	8.0982	6.2499	1.0880	7.5686	7.1724	2.1641	8.3854	7.1565	4.9729	6.9838	4.6926	2.4801	5.8161	6.6458	4.3118	8.9336	6.5535		8.0635	8.0635	2.4972	9.3929	8.0372
H31	4.6828	4.6933	5.2413	3.4208	5.9117	5.2192	3.8854	6.9283	6.2955	2.1569	6.3037	6.2499	3.4083	8.0982	7.1724	1.0880	7.5686	7.1565	2.1641	8.3854	4.6926	4.9729	6.9838	6.6458	2.4801	5.8161	6.5535	4.3118	8.9336	8.0635		8.0635	8.0372	2.4972	9.3929
H32	4.6828	4.6933	5.9117	5.2413	3.4208	6.9283	5.2192	3.8854	6.3037	6.2955	2.1569	8.0982	6.2499	3.4082	7.5686	7.1724	1.0880	8.3854	7.1565	2.1641	6.9838	4.6926	4.9729	5.8161	6.6458	2.4801	8.9336	6.5535	4.3118	8.0635	8.0635		9.3929	8.0372	2.4972
H33	5.4401	5.8365	3.9091	6.2340	6.1549	3.4169	6.9825	5.8766	3.4119	6.5703	7.4693	2.1623	7.9215	6.9945	2.1649	7.5607	8.3778	1.0879	8.1874	8.1733	4.3108	7.0631	4.9890	4.3107	6.2981	7.9223	2.4934	8.6349	7.0942	2.4972	8.0372	9.3929		9.0654	9.0654
H34	5.4401	5.8365	6.1549	3.9091	6.2340	5.8766	3.4169	6.9825	7.4693	3.4119	6.5703	6.9945	2.1623	7.9215	8.3778	2.1649	7.5607	8.1733	1.0879	8.1874	4.9890	4.3108	7.0631	7.9223	4.3107	6.2981	7.0942	2.4934	8.6349	9.3929	2.4972	8.0372	9.0654		9.0654
H35	5.4401	5.8365	6.2340	6.1549	3.9091	6.9825	5.8766	3.4169	6.5703	7.4693	3.4119	7.9215	6.9945	2.1623	7.5607	8.3778	2.1649	8.1874	8.1733	1.0879	7.0631	4.9890	4.3108	6.2981	7.9223	4.3107	8.6349	7.0942	2.4934	8.0372	9.3929	2.4972	9.0654	9.0654

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.654	C1	C3	C9	118.595
C1	C4	C7	122.654	C1	C4	C10	118.595
C1	C5	C8	122.654	C1	C5	C11	118.595
H2	C1	C3	106.175	H2	C1	C4	106.175
H2	C1	C5	106.175	C3	C1	C4	112.557
C3	C1	C5	112.557	C3	C6	C12	120.538
C3	C6	H21	119.743	C3	C9	C15	120.959
C3	C9	H24	119.297	C4	C1	C5	112.557
C4	C7	C13	120.538	C4	C7	H22	119.743
C4	C10	C16	120.959	C4	C10	H25	119.297
C5	C8	C14	120.538	C5	C8	H23	119.743
C5	C11	C17	120.959	C5	C11	H26	119.297
C6	C3	C9	118.713	C6	C12	C18	120.336
C6	C12	H27	119.551	C7	C4	C10	118.713
C7	C13	C19	120.336	C7	C13	H28	119.551
C8	C5	C11	118.713	C8	C14	C20	120.336
C8	C14	H29	119.551	C9	C15	C18	119.978
C9	C15	H30	119.847	C10	C16	C19	119.978
C10	C16	H31	119.847	C11	C17	C20	119.978
C11	C17	H32	119.847	C12	C5	H21	26.490
C12	C18	C15	119.475	C12	C18	H33	120.263
C13	C7	H22	119.717	C13	C19	C16	119.475
C13	C19	H34	120.263	C14	C8	H23	119.717
C14	C20	C17	119.475	C14	C20	H35	120.263
C15	C9	H24	119.742	C15	C18	H33	120.261
C16	C10	H25	119.742	C16	C19	H34	120.261
C17	C11	H26	119.742	C17	C20	H35	120.261
C18	C12	H27	120.113	C18	C15	H30	120.176
C19	C13	H28	120.113	C19	C16	H31	120.176
C20	C14	H29	120.113	C20	C17	H32	120.176

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at wB97X-D/CEP-121G* Charges (e)

Number	Element	Mulliken
1	C	-0.562
2	H	0.285
3	C	0.349
4	C	0.349
5	C	0.349
6	C	-0.318
7	C	-0.318
8	C	-0.318
9	C	-0.385
10	C	-0.385
11	C	-0.385
12	C	-0.238
13	C	-0.238
14	C	-0.238
15	C	-0.225
16	C	-0.225
17	C	-0.225
18	C	-0.234
19	C	-0.234
20	C	-0.234
21	H	0.250
22	H	0.250
23	H	0.250
24	H	0.243
25	H	0.243
26	H	0.243
27	H	0.219
28	H	0.219
29	H	0.219
30	H	0.217
31	H	0.217
32	H	0.217
33	H	0.214
34	H	0.214
35	H	0.214

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	-0.019	0.019
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-104.878	0.000	0.000
y	0.000	-104.878	0.000
z	0.000	0.000	-104.628

Traceless
	x	y	z
x	-0.125	0.000	0.000
y	0.000	-0.125	0.000
z	0.000	0.000	0.250

Polar
3z²-r²	0.499
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	32.689	0.024	0.003
y	0.024	32.687	-0.023
z	0.003	-0.023	25.167

<r²> (average value of r²) Å²

<r²>	1044.305
(<r²>)^1/2	32.316

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: wB97X-D/CEP-121G*

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: wB97X-D/CEP-121G*

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)