CCCBDB calculation results Page

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

Energy calculated at wB97X-D/3-21G*

	hartrees
Energy at 0K	-729.405688
Energy at 298.15K
HF Energy	-729.405688
Nuclear repulsion energy	1291.777196

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/3-21G*

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3260	3090	8.94
2	A	3231	3062	0.76
3	A	3225	3057	1.09
4	A	3218	3050	2.60
5	A	3211	3044	4.28
6	A	3099	2937	5.68
7	A	1674	1587	0.48
8	A	1647	1561	3.78
9	A	1569	1487	23.91
10	A	1518	1438	17.21
11	A	1407	1333	3.08
12	A	1318	1250	0.01
13	A	1262	1196	0.89
14	A	1240	1175	0.21
15	A	1219	1156	0.13
16	A	1139	1079	9.27
17	A	1077	1021	7.13
18	A	1064	1009	0.05
19	A	1050	995	0.06
20	A	1037	983	0.10
21	A	983	931	1.20
22	A	898	851	0.11
23	A	861	816	5.56
24	A	778	738	16.82
25	A	744	705	60.94
26	A	694	657	11.94
27	A	663	628	0.96
28	A	494	468	4.43
29	A	433	411	0.08
30	A	280	265	0.12
31	A	229	217	0.51
32	A	85	80	0.45
33	A	47	45	0.01
34	E	3256	3086	7.86
34	E	3255	3085	10.54
35	E	3251	3082	9.96
35	E	3248	3078	9.58
36	E	3247	3078	11.27
36	E	3241	3072	12.53
37	E	3237	3068	11.78
37	E	3234	3065	11.10
38	E	3223	3055	2.48
38	E	3221	3053	0.69
39	E	1670	1583	10.80
39	E	1668	1581	10.32
40	E	1654	1568	0.46
40	E	1652	1566	0.33
41	E	1567	1486	24.29
41	E	1564	1483	22.51
42	E	1526	1447	8.41
42	E	1524	1444	8.69
43	E	1423	1348	0.20
43	E	1420	1346	0.30
44	E	1350	1280	0.84
44	E	1349	1279	0.83
45	E	1299	1231	1.42
45	E	1299	1231	1.40
46	E	1261	1195	2.06
46	E	1257	1192	1.70
47	E	1245	1180	0.13
47	E	1243	1178	0.23
48	E	1235	1171	0.41
48	E	1235	1171	0.42
49	E	1134	1075	1.30
49	E	1131	1072	1.47
50	E	1081	1025	6.58
50	E	1079	1023	6.91
51	E	1063	1007	0.05
51	E	1063	1007	0.08
52	E	1054	999	0.11
52	E	1054	999	0.10
53	E	1035	981	0.01
53	E	1035	981	0.07
54	E	980	929	2.72
54	E	979	928	3.08
55	E	896	849	1.12
55	E	895	848	1.21
56	E	893	846	0.06
56	E	892	845	0.12
57	E	804	762	19.51
57	E	803	761	19.12
58	E	747	708	57.01
58	E	745	706	59.33
59	E	668	633	3.80
59	E	667	632	3.53
60	E	648	614	14.86
60	E	646	612	15.10
61	E	522	495	6.46
61	E	522	494	6.47
62	E	428	406	0.18
62	E	427	405	0.15
63	E	312	296	0.61
63	E	311	295	0.61
64	E	243	231	0.55
64	E	242	229	0.59
65	E	64	61	0.23
65	E	63	60	0.21
66	E	26	25	0.04
66	E	18	17	0.04

Unscaled Zero Point Vibrational Energy (zpe) 65338.8 cm^-1
Scaled (by 0.9478) Zero Point Vibrational Energy (zpe) 61928.2 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/3-21G*

A	B	C
0.01326	0.01324	0.00772

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

Geometric Data calculated at wB97X-D/3-21G*

Point Group is C₁

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-0.000	0.857
H2	0.002	0.000	1.955
C3	-0.571	-1.339	0.393
C4	-0.872	1.164	0.393
C5	1.446	0.174	0.392
C6	-1.425	-1.434	-0.705
C7	-0.537	1.941	-0.716
C8	1.950	-0.504	-0.717
C9	-0.186	-2.507	1.056
C10	-2.069	1.424	1.066
C11	2.270	1.079	1.065
C12	-1.885	-2.677	-1.135
C13	-1.387	2.958	-1.146
C14	3.256	-0.278	-1.149
C15	-0.648	-3.748	0.631
C16	-2.915	2.443	0.641
C17	3.575	1.303	0.639
C18	-1.500	-3.837	-0.469
C19	-2.576	3.214	-0.470
C20	4.072	0.624	-0.473
H21	-1.733	-0.531	-1.217
H22	0.392	1.749	-1.238
H23	1.318	-1.213	-1.238
H24	0.491	-2.441	1.901
H25	-2.342	0.814	1.920
H26	1.879	1.620	1.920
H27	-2.548	-2.737	-1.990
H28	-1.115	3.553	-2.010
H29	3.635	-0.810	-2.013
H30	-0.342	-4.646	1.155
H31	-3.839	2.635	1.174
H32	4.204	2.006	1.172
H33	-1.861	-4.802	-0.802
H34	-3.234	4.007	-0.803
H35	5.088	0.796	-0.806

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		1.0975	1.5279	1.5277	1.5275	2.5553	2.5556	2.5551	2.5221	2.5217	2.5213	3.8332	3.8333	3.8328	3.8108	3.8106	3.8100	4.3279	4.3279	4.3272	2.7555	2.7571	2.7553	2.6995	2.6988	2.6983	4.7004	4.7005	4.7004	4.6683	4.6680	4.6675	5.4111	5.4112	5.4105
H2	1.0975		2.1350	2.1349	2.1345	3.3415	3.3449	3.3446	2.6705	2.6662	2.6649	4.5028	4.5052	4.5048	4.0282	4.0252	4.0241	4.7801	4.7802	4.7793	3.6543	3.6610	3.6596	2.4901	2.4816	2.4798	5.4363	5.4400	5.4399	4.7272	4.7227	4.7214	5.8422	5.8423	5.8413
C3	1.5279	2.1350		2.5209	2.5211	1.3944	3.4621	2.8784	1.3974	3.2139	3.7911	2.4195	4.6369	4.2601	2.4227	4.4558	4.9223	2.8010	5.0485	5.1145	2.1439	3.6228	2.4989	2.1483	3.1780	4.1339	3.3975	5.4777	4.8742	3.4019	5.2032	5.8818	3.8843	6.0909	6.1662
C4	1.5277	2.1349	2.5209		2.5208	2.8741	1.3945	3.4609	3.7935	1.3975	3.2145	4.2565	2.4194	4.6361	4.9235	2.4230	4.4560	5.1132	2.8014	5.0479	2.4916	2.1446	3.6201	4.1386	2.1482	3.1792	4.8689	3.3973	5.4769	5.8841	3.4021	5.2039	6.1647	3.8847	6.0905
C5	1.5275	2.1345	2.5211	2.5208		3.4684	2.8782	1.3943	3.2081	3.7912	1.3973	4.6427	4.2600	2.4193	4.4523	4.9225	2.4226	5.0499	5.1147	2.8009	3.6320	2.5002	2.1437	3.1664	4.1343	2.1481	5.4860	4.8738	3.3974	5.1973	5.8820	3.4018	6.0926	6.1664	3.8842
C6	2.5553	3.3415	1.3944	2.8741	3.4684		3.4893	3.5005	2.4056	3.4231	4.8067	1.3938	4.4145	4.8417	2.7832	4.3657	5.8563	2.4156	4.7936	5.8739	1.0828	3.7038	2.8028	3.3873	3.5753	5.2090	2.1472	5.1645	5.2630	3.8667	5.0900	6.8586	3.3979	5.7346	6.8848
C7	2.5556	3.3449	3.4621	1.3945	2.8782	3.4893		3.4875	4.8008	2.4055	3.4345	4.8288	1.3939	4.4153	5.8475	2.7834	4.3765	5.8622	2.4159	4.7997	2.7911	1.0828	3.6959	5.2062	3.3872	3.5899	5.2484	2.1470	5.1629	6.8503	3.8669	5.1037	6.8722	3.3983	5.7412
C8	2.5551	3.3446	2.8784	3.4609	1.3943	3.5005	3.4875		3.4231	4.8008	2.4055	4.4273	4.8277	1.3939	4.3691	5.8477	2.7833	4.8027	5.8620	2.4157	3.7163	2.7885	1.0829	3.5688	5.2068	3.3872	5.1799	5.2468	2.1474	5.0910	6.8510	3.8668	5.7446	6.8722	3.3981
C9	2.5221	2.6705	1.3974	3.7935	3.2081	2.4056	4.8008	3.4231		4.3594	4.3474	2.7773	6.0138	4.6557	1.3905	5.6678	5.3701	2.4117	6.3851	5.5017	3.3860	4.8697	3.0324	1.0848	4.0531	4.6958	3.8608	6.8553	5.1857	2.1468	6.3086	6.2973	3.3942	7.4286	6.4957
C10	2.5217	2.6662	3.2139	1.3975	3.7912	3.4231	2.4055	4.8008	4.3594		4.3531	4.6583	2.7768	6.0126	5.3821	1.3905	5.6614	5.5096	2.4117	6.3809	3.0247	3.3863	4.8714	4.7106	1.0848	4.0441	5.1848	3.8603	6.8558	6.3119	2.1469	6.3008	6.5039	3.3941	7.4242
C11	2.5213	2.6649	3.7911	3.2145	1.3973	4.8067	3.4345	2.4055	4.3474	4.3531		6.0182	4.6685	2.7771	5.6579	5.3785	1.3904	6.3823	5.5132	2.4116	4.8813	3.0461	3.3858	4.0326	4.6984	1.0848	6.8637	5.1998	3.8607	6.2944	6.3050	2.1468	7.4260	6.5081	3.3940
C12	3.8332	4.5028	2.4195	4.2565	4.6427	1.3938	4.8288	4.4273	2.7773	4.6583	6.0182		5.6577	5.6730	2.4076	5.5164	6.9856	1.3915	5.9685	6.8423	2.1532	4.9789	3.5230	3.8620	4.6616	6.4783	1.0835	6.3388	5.8923	3.3913	6.1127	8.0205	2.1511	6.8273	7.7969
C13	3.8333	4.5052	4.6369	2.4194	4.2600	4.4145	1.3939	4.8277	6.0138	2.7768	4.6685	5.6577		5.6592	6.9777	2.4074	5.5271	6.8297	1.3914	5.9751	3.5073	2.1528	4.9724	6.4780	3.8615	4.6751	5.8735	1.0835	6.3381	8.0137	3.3911	6.1269	7.7828	2.1513	6.8348
C14	3.8328	4.5048	4.2601	4.6361	2.4193	4.8417	4.4153	1.3939	4.6557	6.0126	2.7771	5.6730	5.6592		5.5180	6.9773	2.4076	5.9785	6.8305	1.3915	4.9952	3.5097	2.1536	4.6506	6.4762	3.8619	6.3588	5.8757	1.0835	6.1106	8.0130	3.3913	6.8388	7.7840	2.1512
C15	3.8108	4.0282	2.4227	4.9235	4.4523	2.7832	5.8475	4.3691	1.3905	5.3821	5.6579	2.4076	6.9777	5.5180		6.5934	6.5838	1.3941	7.3076	6.5274	3.8660	5.8991	3.7125	2.1489	5.0348	6.0721	3.3915	7.7789	5.8274	1.0835	7.1570	7.5461	2.1528	8.3003	7.4576
C16	3.8106	4.0252	4.4558	2.4230	4.9225	4.3657	2.7834	5.8477	5.6678	1.3905	5.3785	5.5164	2.4074	6.9773	6.5934		6.5895	6.5319	1.3941	7.3052	3.7008	3.8662	5.9001	6.0858	2.1486	5.0294	5.8213	3.3914	7.7798	7.5588	1.0835	7.1522	7.4622	2.1528	8.2979
C17	3.8100	4.0241	4.9223	4.4560	2.4226	5.8563	4.3765	2.7833	5.3701	5.6614	1.3904	6.9856	5.5271	2.4076	6.5838	6.5895		7.3072	6.5356	1.3940	5.9145	3.7221	3.8661	5.0124	6.0737	2.1488	7.7923	5.8380	3.3915	7.1418	7.5515	1.0835	8.3004	7.4667	2.1527
C18	4.3279	4.7801	2.8010	5.1132	5.0499	2.4156	5.8622	4.8027	2.4117	5.5096	6.3823	1.3915	6.8297	5.9785	1.3941	6.5319	7.3072		7.1320	7.1371	3.3973	5.9476	3.9259	3.3948	5.2957	6.8485	2.1497	7.5589	6.1566	2.1523	7.0744	8.3283	1.0833	8.0402	8.0607
C19	4.3279	4.7802	5.0485	2.8014	5.1147	4.7936	2.4159	5.8620	6.3851	2.4117	5.5132	5.9685	1.3914	6.8305	7.3076	1.3941	6.5356	7.1320		7.1343	3.9106	3.3973	5.9452	6.8555	3.3946	5.3003	6.1418	2.1496	7.5593	8.3310	2.1523	7.0795	8.0546	1.0833	8.0430
C20	4.3272	4.7793	5.1145	5.0479	2.8009	5.8739	4.7997	2.4157	5.5017	6.3809	2.4116	6.8423	5.9751	1.3915	6.5274	7.3052	1.3940	7.1371	7.1343		5.9649	3.9235	3.3976	5.2776	6.8480	3.3947	7.5772	6.1524	2.1497	7.0646	8.3266	2.1523	8.0465	8.0577	1.0833
H21	2.7555	3.6543	2.1439	2.4916	3.6320	1.0828	2.7911	3.7163	3.3860	3.0247	4.8813	2.1532	3.5073	4.9952	3.8660	3.7008	5.9145	3.3973	3.9106	5.9649		3.1168	3.1258	4.2797	3.4675	5.2455	2.4753	4.2062	5.4330	4.9495	4.4918	6.8840	4.2933	4.7980	6.9606
H22	2.7571	3.6610	3.6228	2.1446	2.5002	3.7038	1.0828	2.7885	4.8697	3.3863	3.0461	4.9789	2.1528	3.5097	5.8991	3.8662	3.7221	5.9476	3.3973	3.9235	3.1168		3.1037	5.2365	4.2801	3.4925	5.4162	2.4744	4.2034	6.8680	4.9497	4.5171	6.9418	4.2932	4.8111
H23	2.7553	3.6596	2.4989	3.6201	2.1437	2.8028	3.6959	1.0829	3.0324	4.8714	3.3858	3.5230	4.9724	2.1536	3.7125	5.9001	3.8661	3.9259	5.9452	3.3976	3.1258	3.1037		3.4704	5.2414	4.2793	4.2226	5.4070	2.4760	4.5022	6.8710	4.9496	4.8141	6.9394	4.2938
H24	2.6995	2.4901	2.1483	4.1386	3.1664	3.3873	5.2062	3.5688	1.0848	4.7106	4.0326	3.8620	6.4780	4.6506	2.1489	6.0858	5.0124	3.3948	6.8555	5.2776	4.2797	5.2365	3.4704		4.3149	4.2924	4.9455	7.3354	5.2785	2.4724	6.7108	5.8393	4.2905	7.9222	6.2406
H25	2.6988	2.4816	3.1780	2.1482	4.1343	3.5753	3.3872	5.2068	4.0531	1.0848	4.6984	4.6616	3.8615	6.4762	5.0348	2.1486	6.0737	5.2957	3.3946	6.8480	3.4675	4.2801	5.2414	4.3149		4.2973	5.2858	4.9450	7.3365	5.8649	2.4722	6.6954	6.2596	4.2902	7.9142
H26	2.6983	2.4798	4.1339	3.1792	2.1481	5.2090	3.5899	3.3872	4.6958	4.0441	1.0848	6.4783	4.6751	3.8619	6.0721	5.0294	2.1488	6.8485	5.3003	3.3947	5.2455	3.4925	4.2793	4.2924	4.2973		7.3396	5.3052	4.9454	6.6926	5.8548	2.4725	7.9148	6.2649	4.2904
H27	4.7004	5.4363	3.3975	4.8689	5.4860	2.1472	5.2484	5.1799	3.8608	5.1848	6.8637	1.0835	5.8735	6.3588	3.3915	5.8213	7.7923	2.1497	6.1418	7.5772	2.4753	5.4162	4.2226	4.9455	5.2858	7.3396		6.4515	6.4755	4.2896	6.3665	8.8362	2.4798	6.8822	8.4963
H28	4.7005	5.4400	5.4777	3.3973	4.8738	5.1645	2.1470	5.2468	6.8553	3.8603	5.1998	6.3388	1.0835	5.8757	7.7789	3.3914	5.8380	7.5589	2.1496	6.1524	4.2062	2.4744	5.4070	7.3354	4.9450	5.3052	6.4515		6.4502	8.8233	4.2894	6.3886	8.4755	2.4799	6.8943
H29	4.7004	5.4399	4.8742	5.4769	3.3974	5.2630	5.1629	2.1474	5.1857	6.8558	3.8607	5.8923	6.3381	1.0835	5.8274	7.7798	3.3915	6.1566	7.5593	2.1497	5.4330	4.2034	2.4760	5.2785	7.3365	4.9454	6.4755	6.4502		6.3693	8.8248	4.2895	6.8993	8.4762	2.4798
H30	4.6683	4.7272	3.4019	5.8841	5.1973	3.8667	6.8503	5.0910	2.1468	6.3119	6.2944	3.3913	8.0137	6.1106	1.0835	7.5588	7.1418	2.1523	8.3310	7.0646	4.9495	6.8680	4.5022	2.4724	5.8649	6.6926	4.2896	8.8233	6.3693		8.0768	8.0575	2.4818	9.3314	7.9346
H31	4.6680	4.7227	5.2032	3.4021	5.8820	5.0900	3.8669	6.8510	6.3086	2.1469	6.3050	6.1127	3.3911	8.0130	7.1570	1.0835	7.5515	7.0744	2.1523	8.3266	4.4918	4.9497	6.8710	6.7108	2.4722	5.8548	6.3665	4.2894	8.8248	8.0768		8.0674	7.9450	2.4817	9.3267
H32	4.6675	4.7214	5.8818	5.2039	3.4018	6.8586	5.1037	3.8668	6.2973	6.3008	2.1468	8.0205	6.1269	3.3913	7.5461	7.1522	1.0835	8.3283	7.0795	2.1523	6.8840	4.5171	4.9496	5.8393	6.6954	2.4725	8.8362	6.3886	4.2895	8.0575	8.0674		9.3289	7.9513	2.4816
H33	5.4111	5.8422	3.8843	6.1647	6.0926	3.3979	6.8722	5.7446	3.3942	6.5039	7.4260	2.1511	7.7828	6.8388	2.1528	7.4622	8.3004	1.0833	8.0546	8.0465	4.2933	6.9418	4.8141	4.2905	6.2596	7.9148	2.4798	8.4755	6.8993	2.4818	7.9450	9.3289		8.9159	8.9234
H34	5.4112	5.8423	6.0909	3.8847	6.1664	5.7346	3.3983	6.8722	7.4286	3.3941	6.5081	6.8273	2.1513	7.7840	8.3003	2.1528	7.4667	8.0402	1.0833	8.0577	4.7980	4.2932	6.9394	7.9222	4.2902	6.2649	6.8822	2.4799	8.4762	9.3314	2.4817	7.9513	8.9159		8.9196
H35	5.4105	5.8413	6.1662	6.0905	3.8842	6.8848	5.7412	3.3981	6.4957	7.4242	3.3940	7.7969	6.8348	2.1512	7.4576	8.2979	2.1527	8.0607	8.0430	1.0833	6.9606	4.8111	4.2938	6.2406	7.9142	4.2904	8.4963	6.8943	2.4798	7.9346	9.3267	2.4816	8.9234	8.9196

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.888	C1	C3	C9	119.055
C1	C4	C7	121.923	C1	C4	C10	119.034
C1	C5	C8	121.907	C1	C5	C11	119.026
H2	C1	C3	107.693	H2	C1	C4	107.700
H2	C1	C5	107.678	C3	C1	C4	111.176
C3	C1	C5	111.207	C3	C6	C12	120.394
C3	C6	H21	119.341	C3	C9	C15	120.682
C3	C9	H24	119.338	C4	C1	C5	111.193
C4	C7	C13	120.386	C4	C7	H22	119.395
C4	C10	C16	120.706	C4	C10	H25	119.333
C5	C8	C14	120.386	C5	C8	H23	119.324
C5	C11	C17	120.688	C5	C11	H26	119.327
C6	C3	C9	119.006	C6	C12	C18	120.284
C6	C12	H27	119.637	C7	C4	C10	118.990
C7	C13	C19	120.307	C7	C13	H28	119.622
C8	C5	C11	119.013	C8	C14	C20	120.285
C8	C14	H29	119.647	C9	C15	C18	120.019
C9	C15	H30	119.883	C10	C16	C19	120.012
C10	C16	H31	119.894	C11	C17	C20	120.014
C11	C17	H32	119.888	C12	C5	H21	26.771
C12	C18	C15	119.614	C12	C18	H33	120.221
C13	C7	H22	120.219	C13	C19	C16	119.599
C13	C19	H34	120.240	C14	C8	H23	120.289
C14	C20	C17	119.613	C14	C20	H35	120.232
C15	C9	H24	119.975	C15	C18	H33	120.166
C16	C10	H25	119.957	C16	C19	H34	120.161
C17	C11	H26	119.981	C17	C20	H35	120.156
C18	C12	H27	120.078	C18	C15	H30	120.098
C19	C13	H28	120.070	C19	C16	H31	120.095
C20	C14	H29	120.068	C20	C17	H32	120.098

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at wB97X-D/3-21G* Charges (e)

Number	Element	Mulliken
1	C	-0.430
2	H	0.236
3	C	0.037
4	C	0.037
5	C	0.038
6	C	-0.223
7	C	-0.223
8	C	-0.224
9	C	-0.204
10	C	-0.204
11	C	-0.204
12	C	-0.219
13	C	-0.219
14	C	-0.219
15	C	-0.219
16	C	-0.219
17	C	-0.219
18	C	-0.222
19	C	-0.222
20	C	-0.222
21	H	0.240
22	H	0.240
23	H	0.240
24	H	0.218
25	H	0.218
26	H	0.218
27	H	0.220
28	H	0.220
29	H	0.220
30	H	0.219
31	H	0.219
32	H	0.219
33	H	0.218
34	H	0.218
35	H	0.218

Electric dipole moments
Electric dipole components in Debye
(What's a Debye? See section VII.A.3)

	x	y	z	Total
	-0.000	0.003	-0.053	0.053
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-104.632	-0.045	0.041
y	-0.045	-104.757	0.011
z	0.041	0.011	-104.890

Traceless
	x	y	z
x	0.192	-0.045	0.041
y	-0.045	0.004	0.011
z	0.041	0.011	-0.195

Polar
3z²-r²	-0.390
x²-y²	0.125
xy	-0.045
xz	0.041
yz	0.011

Polarizabilities
Components of the polarizability tensor.
Units are Å³ (Angstrom cubed)
Change units.

	x	y	z
x	27.092	-0.027	0.025
y	-0.027	27.013	0.006
z	0.025	0.006	20.343

<r²> (average value of r²) Å²

<r²>	1372.214
(<r²>)^1/2	37.043

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: wB97X-D/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: wB97X-D/3-21G*

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)