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	hartrees
Energy at 0K	-51.987262
Energy at 298.15K
HF Energy	-51.303019
Nuclear repulsion energy	98.133964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3091	2986	0.06	91.52	0.14	0.24
2	A₁	1999	1931	4.04	40.51	0.03	0.06
3	A₁	823	796	20.14	11.04	0.08	0.15
4	A₁	534	516	0.72	6.53	0.01	0.02
5	A₁	153	148	15.33	2.77	0.71	0.83
6	A₂	327	316	0.00	0.00	0.71	0.83
7	E	2010	1942	28.70	11.05	0.75	0.86
7	E	2010	1942	28.70	11.05	0.75	0.86
8	E	1316	1272	1.64	5.35	0.75	0.86
8	E	1316	1272	1.64	5.35	0.75	0.86
9	E	990	957	21.02	5.10	0.75	0.86
9	E	990	957	21.02	5.10	0.75	0.86
10	E	536	518	1.14	1.63	0.75	0.86
10	E	536	518	1.14	1.63	0.75	0.86
11	E	316	305	0.05	3.68	0.75	0.86
11	E	316	305	0.05	3.68	0.75	0.86
12	E	125	120	5.58	5.26	0.75	0.86
12	E	125	120	5.58	5.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.542
H2	0.000	0.000	1.653
C3	0.000	1.442	0.070
C4	1.249	-0.721	0.070
C5	-1.249	-0.721	0.070
N6	0.000	2.615	-0.293
N7	2.265	-1.308	-0.293
N8	-2.265	-1.308	-0.293

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1114	1.5171	1.5171	1.5171	2.7451	2.7451	2.7451
H2	1.1114		2.1412	2.1412	2.1412	3.2599	3.2599	3.2599
C3	1.5171	2.1412		2.4976	2.4976	1.2281	3.5807	3.5807
C4	1.5171	2.1412	2.4976		2.4976	3.5807	1.2281	3.5807
C5	1.5171	2.1412	2.4976	2.4976		3.5807	3.5807	1.2281
N6	2.7451	3.2599	1.2281	3.5807	3.5807		4.5294	4.5294
N7	2.7451	3.2599	3.5807	1.2281	3.5807	4.5294		4.5294
N8	2.7451	3.2599	3.5807	3.5807	1.2281	4.5294	4.5294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.115	C1	C4	N7	179.115
C1	C5	N8	179.115	H2	C1	C3	108.105
H2	C1	C4	108.105	H2	C1	C5	108.105
C3	C1	C4	110.802	C3	C1	C5	110.802
C4	C1	C5	110.802

All results from a given calculation for CH(CN)₃ (tricyanomethane)

using model chemistry: MP2/CEP-31G

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 CH(CN)3 (tricyanomethane)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for CH(CN)₃ (tricyanomethane)