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	hartrees
Energy at 0K	-52.426415
Energy at 298.15K
HF Energy	-51.479832
Nuclear repulsion energy	100.043844

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	3125	2967	3.65	86.80	0.13	0.23
2	A₁	2158	2049	2.02	57.85	0.04	0.08
3	A₁	837	795	12.88	9.03	0.06	0.12
4	A₁	548	520	0.30	3.26	0.00	0.00
5	A₁	151	143	16.76	2.74	0.71	0.83
6	A₂	328	311	0.00	0.00	0.75	0.86
7	E	2167	2057	13.95	15.80	0.75	0.86
7	E	2167	2057	13.95	15.80	0.75	0.86
8	E	1301	1235	4.29	4.05	0.75	0.86
8	E	1301	1235	4.29	4.05	0.75	0.86
9	E	1027	975	18.67	2.77	0.75	0.86
9	E	1027	975	18.67	2.77	0.75	0.86
10	E	547	519	0.61	1.70	0.75	0.86
10	E	547	519	0.61	1.70	0.75	0.86
11	E	319	303	0.00	2.89	0.75	0.86
11	E	319	303	0.00	2.89	0.75	0.86
12	E	122	116	5.83	4.78	0.75	0.86
12	E	122	116	5.83	4.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.546
H2	0.000	0.000	1.651
C3	0.000	1.416	0.071
C4	1.226	-0.708	0.071
C5	-1.226	-0.708	0.071
N6	0.000	2.559	-0.296
N7	2.216	-1.279	-0.296
N8	-2.216	-1.279	-0.296

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1049	1.4928	1.4928	1.4928	2.6934	2.6934	2.6934
H2	1.1049		2.1207	2.1207	2.1207	3.2147	3.2147	3.2147
C3	1.4928	2.1207		2.4518	2.4518	1.2006	3.5081	3.5081
C4	1.4928	2.1207	2.4518		2.4518	3.5082	1.2006	3.5081
C5	1.4928	2.1207	2.4518	2.4518		3.5082	3.5081	1.2006
N6	2.6934	3.2147	1.2006	3.5082	3.5082		4.4318	4.4318
N7	2.6934	3.2147	3.5081	1.2006	3.5081	4.4318		4.4318
N8	2.6934	3.2147	3.5081	3.5081	1.2006	4.4318	4.4318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.280	C1	C4	N7	179.280
C1	C5	N8	179.280	H2	C1	C3	108.521
H2	C1	C4	108.521	H2	C1	C5	108.521
C3	C1	C4	110.405	C3	C1	C5	110.405
C4	C1	C5	110.405

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)