CCCBDB calculation results Page

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

Energy calculated at wB97X-D/6-311G*

	hartrees
Energy at 0K	-733.554872
Energy at 298.15K
HF Energy	-733.554872
Nuclear repulsion energy	1288.386041

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/6-311G*

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3215	3215	9.52
2	A	3206	3206	21.48
3	A	3197	3197	40.67
4	A	3186	3186	0.83
5	A	3177	3177	4.43
6	A	3053	3053	10.90
7	A	1692	1692	0.00
8	A	1663	1663	3.03
9	A	1551	1551	1.58
10	A	1500	1500	12.84
11	A	1370	1370	1.58
12	A	1328	1328	0.27
13	A	1222	1222	0.50
14	A	1204	1204	0.16
15	A	1191	1191	0.00
16	A	1124	1124	12.77
17	A	1067	1067	0.19
18	A	1030	1030	0.04
19	A	1007	1007	0.03
20	A	988	988	0.03
21	A	946	946	1.51
22	A	868	868	0.05
23	A	845	845	3.17
24	A	753	753	21.97
25	A	721	721	47.80
26	A	680	680	8.52
27	A	640	640	0.93
28	A	482	482	4.21
29	A	422	422	0.04
30	A	275	275	0.10
31	A	225	225	0.44
32	A	92	92	0.40
33	A	47	47	0.00
34	E	3214	3214	25.52
34	E	3214	3214	25.48
35	E	3206	3206	37.62
35	E	3206	3206	37.40
36	E	3196	3196	13.57
36	E	3196	3196	13.53
37	E	3186	3186	1.62
37	E	3186	3186	1.63
38	E	3177	3177	5.88
38	E	3177	3177	5.81
39	E	1687	1687	12.15
39	E	1687	1687	12.14
40	E	1668	1668	0.36
40	E	1668	1668	0.36
41	E	1552	1552	24.98
41	E	1552	1552	24.91
42	E	1508	1508	7.03
42	E	1508	1508	7.05
43	E	1381	1381	0.06
43	E	1381	1381	0.06
44	E	1358	1358	2.18
44	E	1358	1358	2.18
45	E	1301	1301	2.59
45	E	1301	1301	2.57
46	E	1229	1229	0.60
46	E	1229	1229	0.59
47	E	1219	1219	1.36
47	E	1219	1219	1.34
48	E	1192	1192	0.03
48	E	1192	1192	0.03
49	E	1120	1120	0.90
49	E	1120	1120	0.92
50	E	1069	1069	9.12
50	E	1069	1069	9.11
51	E	1030	1030	1.30
51	E	1030	1030	1.30
52	E	1007	1007	0.04
52	E	1007	1007	0.04
53	E	987	987	0.07
53	E	987	987	0.07
54	E	944	944	2.55
54	E	944	944	2.56
55	E	890	890	1.05
55	E	890	890	1.07
56	E	865	865	0.07
56	E	865	865	0.07
57	E	778	778	19.86
57	E	778	778	19.87
58	E	720	720	49.60
58	E	720	720	49.66
59	E	644	644	3.06
59	E	644	644	3.03
60	E	627	627	14.95
60	E	627	627	14.92
61	E	511	511	5.09
61	E	511	511	5.11
62	E	417	417	0.18
62	E	417	417	0.17
63	E	309	309	0.53
63	E	309	309	0.52
64	E	238	238	0.56
64	E	238	238	0.56
65	E	66	66	0.21
65	E	66	66	0.21
66	E	28	28	0.03
66	E	28	28	0.03

Unscaled Zero Point Vibrational Energy (zpe) 64304.1 cm^-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 64304.1 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/6-311G*

A	B	C
0.01312	0.01312	0.00761

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

Geometric Data calculated at wB97X-D/6-311G*

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.766
H2	0.000	0.000	1.863
C3	0.000	1.463	0.342
C4	1.267	-0.732	0.342
C5	-1.267	-0.732	0.342
C6	0.729	1.931	-0.748
C7	1.308	-1.597	-0.748
C8	-2.037	-0.334	-0.748
C9	-0.797	2.365	1.049
C10	2.446	-0.492	1.049
C11	-1.649	-1.873	1.049
C12	0.659	3.269	-1.124
C13	2.501	-2.206	-1.124
C14	-3.161	-1.063	-1.124
C15	-0.866	3.699	0.678
C16	3.637	-1.099	0.678
C17	-2.771	-2.600	0.678
C18	-0.137	4.157	-0.414
C19	3.668	-1.960	-0.414
C20	-3.531	-2.197	-0.414
H21	1.362	1.248	-1.304
H22	0.400	-1.804	-1.304
H23	-1.762	0.556	-1.304
H24	-1.378	2.009	1.896
H25	2.429	0.189	1.896
H26	-1.051	-2.198	1.896
H27	1.236	3.616	-1.976
H28	2.514	-2.878	-1.976
H29	-3.750	-0.738	-1.976
H30	-1.490	4.385	1.243
H31	4.543	-0.902	1.243
H32	-3.053	-3.483	1.243
H33	-0.186	5.201	-0.706
H34	4.597	-2.439	-0.706
H35	-4.411	-2.762	-0.706

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		1.0968	1.5233	1.5233	1.5233	2.5595	2.5595	2.5595	2.5113	2.5113	2.5113	3.8332	3.8332	3.8332	3.8005	3.8005	3.8005	4.3231	4.3231	4.3231	2.7748	2.7748	2.7748	2.6854	2.6854	2.6854	4.7035	4.7035	4.7035	4.6559	4.6559	4.6559	5.4081	5.4081	5.4081
H2	1.0968		2.1104	2.1104	2.1104	3.3279	3.3279	3.3279	2.6247	2.6247	2.6247	4.4769	4.4769	4.4769	3.9798	3.9798	3.9798	4.7413	4.7413	4.7413	3.6666	3.6666	3.6666	2.4363	2.4363	2.4363	5.4167	5.4167	5.4167	4.6728	4.6728	4.6728	5.8034	5.8034	5.8034
C3	1.5233	2.1104		2.5342	2.5342	1.3921	3.5014	2.9267	1.3956	3.2104	3.7877	2.4177	4.6760	4.3038	2.4217	4.4617	4.9293	2.8010	5.0739	5.1417	2.1477	3.6801	2.5765	2.1473	3.1525	4.1135	3.3965	5.5264	4.9274	3.4015	5.2002	5.8817	3.8860	6.1201	6.1968
C4	1.5233	2.1104	2.5342		2.5342	2.9267	1.3921	3.5014	3.7877	1.3956	3.2104	4.3038	2.4177	4.6760	4.9293	2.4217	4.4617	5.1417	2.8010	5.0739	2.5765	2.1477	3.6801	4.1135	2.1473	3.1525	4.9274	3.3965	5.5264	5.8817	3.4015	5.2002	6.1968	3.8860	6.1201
C5	1.5233	2.1104	2.5342	2.5342		3.5014	2.9267	1.3921	3.2104	3.7877	1.3956	4.6760	4.3038	2.4177	4.4617	4.9293	2.4217	5.0739	5.1417	2.8010	3.6801	2.5765	2.1477	3.1525	4.1135	2.1473	5.5264	4.9274	3.3965	5.2002	5.8817	3.4015	6.1201	6.1968	3.8860
C6	2.5595	3.3279	1.3921	2.9267	3.5014		3.5746	3.5746	2.3969	3.4710	4.8321	1.3917	4.5157	4.9228	2.7762	4.4354	5.8999	2.4115	4.8876	5.9412	1.0849	3.7902	2.8990	3.3814	3.5937	5.2156	2.1462	5.2746	5.3562	3.8615	5.1510	6.8973	3.3957	5.8359	6.9595
C7	2.5595	3.3279	3.5014	1.3921	2.9267	3.5746		3.5746	4.8321	2.3969	3.4710	4.9228	1.3917	4.5157	5.8999	2.7762	4.4354	5.9412	2.4115	4.8876	2.8990	1.0849	3.7902	5.2156	3.3814	3.5937	5.3562	2.1462	5.2746	6.8973	3.8615	5.1510	6.9595	3.3957	5.8359
C8	2.5595	3.3279	2.9267	3.5014	1.3921	3.5746	3.5746		3.4710	4.8321	2.3969	4.5157	4.9228	1.3917	4.4354	5.8999	2.7762	4.8876	5.9412	2.4115	3.7902	2.8990	1.0849	3.5937	5.2156	3.3814	5.2746	5.3562	2.1462	5.1510	6.8973	3.8615	5.8359	6.9595	3.3957
C9	2.5113	2.6247	1.3956	3.7877	3.2104	2.3969	4.8321	3.4710		4.3220	4.3220	2.7680	6.0404	4.6967	1.3870	5.6388	5.3552	2.4058	6.3859	5.5156	3.3834	4.9341	3.1209	1.0867	3.9823	4.6471	3.8533	6.8993	5.2435	2.1450	6.2627	6.2706	3.3905	7.4329	6.5127
C10	2.5113	2.6247	3.2104	1.3956	3.7877	3.4710	2.3969	4.8321	4.3220		4.3220	4.6967	2.7680	6.0404	5.3552	1.3870	5.6388	5.5156	2.4058	6.3859	3.1209	3.3834	4.9341	4.6471	1.0867	3.9823	5.2435	3.8533	6.8993	6.2706	2.1450	6.2627	6.5127	3.3905	7.4329
C11	2.5113	2.6247	3.7877	3.2104	1.3956	4.8321	3.4710	2.3969	4.3220	4.3220		6.0404	4.6967	2.7680	5.6388	5.3552	1.3870	6.3859	5.5156	2.4058	4.9341	3.1209	3.3834	3.9823	4.6471	1.0867	6.8993	5.2435	3.8533	6.2627	6.2706	2.1450	7.4329	6.5127	3.3905
C12	3.8332	4.4769	2.4177	4.3038	4.6760	1.3917	4.9228	4.5157	2.7680	4.6967	6.0404		5.7759	5.7759	2.4008	5.5853	7.0327	1.3881	6.0743	6.9239	2.1471	5.0825	3.6409	3.8547	4.6626	6.4754	1.0853	6.4770	6.0186	3.3867	6.1707	8.0605	2.1499	6.9467	7.8897
C13	3.8332	4.4769	4.6760	2.4177	4.3038	4.5157	1.3917	4.9228	6.0404	2.7680	4.6967	5.7759		5.7759	7.0327	2.4008	5.5853	6.9239	1.3881	6.0743	3.6409	2.1471	5.0825	6.4754	3.8547	4.6626	6.0186	1.0853	6.4770	8.0605	3.3867	6.1707	7.8897	2.1499	6.9467
C14	3.8332	4.4769	4.3038	4.6760	2.4177	4.9228	4.5157	1.3917	4.6967	6.0404	2.7680	5.7759	5.7759		5.5853	7.0327	2.4008	6.0743	6.9239	1.3881	5.0825	3.6409	2.1471	4.6626	6.4754	3.8547	6.4770	6.0186	1.0853	6.1707	8.0605	3.3867	6.9467	7.8897	2.1499
C15	3.8005	3.9798	2.4217	4.9293	4.4617	2.7762	5.8999	4.4354	1.3870	5.3552	5.6388	2.4008	7.0327	5.5853		6.5808	6.5808	1.3911	7.3337	6.5620	3.8611	5.9849	3.8230	2.1449	4.9665	6.0242	3.3868	7.8574	5.9204	1.0853	7.1239	7.5290	2.1524	8.3333	7.4982
C16	3.8005	3.9798	4.4617	2.4217	4.9293	4.4354	2.7762	5.8999	5.6388	1.3870	5.3552	5.5853	2.4008	7.0327	6.5808		6.5808	6.5620	1.3911	7.3337	3.8230	3.8611	5.9849	6.0242	2.1449	4.9665	5.9204	3.3868	7.8574	7.5290	1.0853	7.1239	7.4982	2.1524	8.3333
C17	3.8005	3.9798	4.9293	4.4617	2.4217	5.8999	4.4354	2.7762	5.3552	5.6388	1.3870	7.0327	5.5853	2.4008	6.5808	6.5808		7.3337	6.5620	1.3911	5.9849	3.8230	3.8611	4.9665	6.0242	2.1449	7.8574	5.9204	3.3868	7.1239	7.5290	1.0853	8.3333	7.4982	2.1524
C18	4.3231	4.7413	2.8010	5.1417	5.0739	2.4115	5.9412	4.8876	2.4058	5.5156	6.3859	1.3881	6.9239	6.0743	1.3911	6.5620	7.3337		7.2035	7.2035	3.3912	6.0505	4.0497	3.3894	5.2596	6.8227	2.1481	7.6783	6.2812	2.1514	7.0875	8.3435	1.0851	8.1237	8.1373
C19	4.3231	4.7413	5.0739	2.8010	5.1417	4.8876	2.4115	5.9412	6.3859	2.4058	5.5156	6.0743	1.3881	6.9239	7.3337	1.3911	6.5620	7.2035		7.2035	4.0497	3.3912	6.0505	6.8227	3.3894	5.2596	6.2812	2.1481	7.6783	8.3435	2.1514	7.0875	8.1373	1.0851	8.1237
C20	4.3231	4.7413	5.1417	5.0739	2.8010	5.9412	4.8876	2.4115	5.5156	6.3859	2.4058	6.9239	6.0743	1.3881	6.5620	7.3337	1.3911	7.2035	7.2035		6.0505	4.0497	3.3912	5.2596	6.8227	3.3894	7.6783	6.2812	2.1481	7.0875	8.3435	2.1514	8.1237	8.1373	1.0851
H21	2.7748	3.6666	2.1477	2.5765	3.6801	1.0849	2.8990	3.7902	3.3834	3.1209	4.9341	2.1471	3.6409	5.0825	3.8611	3.8230	5.9849	3.3912	4.0497	6.0505		3.2001	3.2001	4.2812	3.5357	5.2857	2.4651	4.3363	5.5254	4.9463	4.6070	6.9543	4.2871	4.9410	7.0543
H22	2.7748	3.6666	3.6801	2.1477	2.5765	3.7902	1.0849	2.8990	4.9341	3.3834	3.1209	5.0825	2.1471	3.6409	5.9849	3.8611	3.8230	6.0505	3.3912	4.0497	3.2001		3.2001	5.2857	4.2812	3.5357	5.5254	2.4651	4.3363	6.9543	4.9463	4.6070	7.0543	4.2871	4.9410
H23	2.7748	3.6666	2.5765	3.6801	2.1477	2.8990	3.7902	1.0849	3.1209	4.9341	3.3834	3.6409	5.0825	2.1471	3.8230	5.9849	3.8611	4.0497	6.0505	3.3912	3.2001	3.2001		3.5357	5.2857	4.2812	4.3363	5.5254	2.4651	4.6070	6.9543	4.9463	4.9410	7.0543	4.2871
H24	2.6854	2.4363	2.1473	4.1135	3.1525	3.3814	5.2156	3.5937	1.0867	4.6471	3.9823	3.8547	6.4754	4.6626	2.1449	6.0242	4.9665	3.3894	6.8227	5.2596	4.2812	5.2857	3.5357		4.2194	4.2194	4.9400	7.3501	5.3071	2.4668	6.6297	5.7790	4.2866	7.8900	6.2233
H25	2.6854	2.4363	3.1525	2.1473	4.1135	3.5937	3.3814	5.2156	3.9823	1.0867	4.6471	4.6626	3.8547	6.4754	4.9665	2.1449	6.0242	5.2596	3.3894	6.8227	3.5357	4.2812	5.2857	4.2194		4.2194	5.3071	4.9400	7.3501	5.7790	2.4668	6.6297	6.2233	4.2866	7.8900
H26	2.6854	2.4363	4.1135	3.1525	2.1473	5.2156	3.5937	3.3814	4.6471	3.9823	1.0867	6.4754	4.6626	3.8547	6.0242	4.9665	2.1449	6.8227	5.2596	3.3894	5.2857	3.5357	4.2812	4.2194	4.2194		7.3501	5.3071	4.9400	6.6297	5.7790	2.4668	7.8900	6.2233	4.2866
H27	4.7035	5.4167	3.3965	4.9274	5.5264	2.1462	5.3562	5.2746	3.8533	5.2435	6.8993	1.0853	6.0186	6.4770	3.3868	5.9204	7.8574	2.1481	6.2812	7.6783	2.4651	5.5254	4.3363	4.9400	5.3071	7.3501		6.6194	6.6194	4.2871	6.4586	8.8967	2.4786	7.0412	8.6123
H28	4.7035	5.4167	5.5264	3.3965	4.9274	5.2746	2.1462	5.3562	6.8993	3.8533	5.2435	6.4770	1.0853	6.0186	7.8574	3.3868	5.9204	7.6783	2.1481	6.2812	4.3363	2.4651	5.5254	7.3501	4.9400	5.3071	6.6194		6.6194	8.8967	4.2871	6.4586	8.6123	2.4786	7.0412
H29	4.7035	5.4167	4.9274	5.5264	3.3965	5.3562	5.2746	2.1462	5.2435	6.8993	3.8533	6.0186	6.4770	1.0853	5.9204	7.8574	3.3868	6.2812	7.6783	2.1481	5.5254	4.3363	2.4651	5.3071	7.3501	4.9400	6.6194	6.6194		6.4586	8.8967	4.2871	7.0412	8.6123	2.4786
H30	4.6559	4.6728	3.4015	5.8817	5.2002	3.8615	6.8973	5.1510	2.1450	6.2706	6.2627	3.3867	8.0605	6.1707	1.0853	7.5290	7.1239	2.1514	8.3435	7.0875	4.9463	6.9543	4.6070	2.4668	5.7790	6.6297	4.2871	8.8967	6.4586		8.0219	8.0219	2.4824	9.3498	7.9626
H31	4.6559	4.6728	5.2002	3.4015	5.8817	5.1510	3.8615	6.8973	6.2627	2.1450	6.2706	6.1707	3.3867	8.0605	7.1239	1.0853	7.5290	7.0875	2.1514	8.3435	4.6070	4.9463	6.9543	6.6297	2.4668	5.7790	6.4586	4.2871	8.8967	8.0219		8.0219	7.9626	2.4824	9.3498
H32	4.6559	4.6728	5.8817	5.2002	3.4015	6.8973	5.1510	3.8615	6.2706	6.2627	2.1450	8.0605	6.1707	3.3867	7.5290	7.1239	1.0853	8.3435	7.0875	2.1514	6.9543	4.6070	4.9463	5.7790	6.6297	2.4668	8.8967	6.4586	4.2871	8.0219	8.0219		9.3498	7.9626	2.4824
H33	5.4081	5.8034	3.8860	6.1968	6.1201	3.3957	6.9595	5.8359	3.3905	6.5127	7.4329	2.1499	7.8897	6.9467	2.1524	7.4982	8.3333	1.0851	8.1373	8.1237	4.2871	7.0543	4.9410	4.2866	6.2233	7.8900	2.4786	8.6123	7.0412	2.4824	7.9626	9.3498		9.0134	9.0134
H34	5.4081	5.8034	6.1201	3.8860	6.1968	5.8359	3.3957	6.9595	7.4329	3.3905	6.5127	6.9467	2.1499	7.8897	8.3333	2.1524	7.4982	8.1237	1.0851	8.1373	4.9410	4.2871	7.0543	7.8900	4.2866	6.2233	7.0412	2.4786	8.6123	9.3498	2.4824	7.9626	9.0134		9.0134
H35	5.4081	5.8034	6.1968	6.1201	3.8860	6.9595	5.8359	3.3957	6.5127	7.4329	3.3905	7.8897	6.9467	2.1499	7.4982	8.3333	2.1524	8.1373	8.1237	1.0851	7.0543	4.9410	4.2871	6.2233	7.8900	4.2866	8.6123	7.0412	2.4786	7.9626	9.3498	2.4824	9.0134	9.0134

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.722	C1	C3	C9	118.648
C1	C4	C7	122.722	C1	C4	C10	118.648
C1	C5	C8	122.722	C1	C5	C11	118.648
H2	C1	C3	106.160	H2	C1	C4	106.160
H2	C1	C5	106.160	C3	C1	C4	112.570
C3	C1	C5	112.570	C3	C6	C12	120.571
C3	C6	H21	119.724	C3	C9	C15	120.990
C3	C9	H24	119.255	C4	C1	C5	112.570
C4	C7	C13	120.571	C4	C7	H22	119.724
C4	C10	C16	120.990	C4	C10	H25	119.255
C5	C8	C14	120.571	C5	C8	H23	119.724
C5	C11	C17	120.990	C5	C11	H26	119.255
C6	C3	C9	118.597	C6	C12	C18	120.343
C6	C12	H27	119.584	C7	C4	C10	118.597
C7	C13	C19	120.343	C7	C13	H28	119.584
C8	C5	C11	118.597	C8	C14	C20	120.343
C8	C14	H29	119.584	C9	C15	C18	119.995
C9	C15	H30	119.870	C10	C16	C19	119.995
C10	C16	H31	119.870	C11	C17	C20	119.995
C11	C17	H32	119.870	C12	C5	H21	26.509
C12	C18	C15	119.503	C12	C18	H33	120.254
C13	C7	H22	119.703	C13	C19	C16	119.503
C13	C19	H34	120.254	C14	C8	H23	119.703
C14	C20	C17	119.503	C14	C20	H35	120.254
C15	C9	H24	119.752	C15	C18	H33	120.242
C16	C10	H25	119.752	C16	C19	H34	120.242
C17	C11	H26	119.752	C17	C20	H35	120.242
C18	C12	H27	120.072	C18	C15	H30	120.135
C19	C13	H28	120.072	C19	C16	H31	120.135
C20	C14	H29	120.072	C20	C17	H32	120.135

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at wB97X-D/6-311G* Charges (e)

Number	Element	Mulliken
1	C	-0.416
2	H	0.255
3	C	0.026
4	C	0.026
5	C	0.026
6	C	-0.222
7	C	-0.222
8	C	-0.222
9	C	-0.193
10	C	-0.193
11	C	-0.193
12	C	-0.202
13	C	-0.202
14	C	-0.202
15	C	-0.201
16	C	-0.201
17	C	-0.201
18	C	-0.208
19	C	-0.208
20	C	-0.208
21	H	0.228
22	H	0.228
23	H	0.228
24	H	0.206
25	H	0.206
26	H	0.206
27	H	0.207
28	H	0.207
29	H	0.207
30	H	0.207
31	H	0.207
32	H	0.207
33	H	0.206
34	H	0.206
35	H	0.206

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	-105.296	0.000	0.000
y	0.000	-105.296	0.000
z	0.000	0.000	-105.786

Traceless
	x	y	z
x	0.245	0.000	0.000
y	0.000	0.245	0.000
z	0.000	0.000	-0.491

Polar
3z²-r²	-0.982
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	31.081	0.008	0.001
y	0.008	31.076	-0.004
z	0.001	-0.004	23.376

<r²> (average value of r²) Å²

<r²>	1388.763
(<r²>)^1/2	37.266

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: wB97X-D/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: wB97X-D/6-311G*

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)