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	hartrees
Energy at 0K	-316.317165
Energy at 298.15K
HF Energy	-315.328135
Nuclear repulsion energy	210.942670

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	3089	2913	9.25	80.13	0.17	0.29
2	A₁	2200	2075	1.50	43.84	0.06	0.12
3	A₁	856	807	6.78	6.54	0.11	0.20
4	A₁	570	537	0.10	2.69	0.00	0.00
5	A₁	161	152	20.37	2.63	0.71	0.83
6	A₂	334	315	0.00	0.00	0.75	0.86
7	E	2207	2081	16.80	16.56	0.75	0.86
7	E	2207	2081	16.80	16.56	0.75	0.86
8	E	1326	1251	1.60	3.83	0.75	0.86
8	E	1326	1251	1.60	3.83	0.75	0.86
9	E	1046	986	15.77	2.39	0.75	0.86
9	E	1046	986	15.77	2.39	0.75	0.86
10	E	558	526	0.04	2.17	0.75	0.86
10	E	558	526	0.04	2.17	0.75	0.86
11	E	335	316	0.14	3.52	0.75	0.86
11	E	335	316	0.14	3.52	0.75	0.86
12	E	126	119	6.82	4.98	0.75	0.86
12	E	126	119	6.82	4.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.522
H2	0.000	0.000	1.622
C3	0.000	1.402	0.064
C4	1.214	-0.701	0.064
C5	-1.214	-0.701	0.064
N6	0.000	2.532	-0.281
N7	2.193	-1.266	-0.281
N8	-2.193	-1.266	-0.281

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1002	1.4749	1.4749	1.4749	2.6560	2.6560	2.6560
H2	1.1002		2.0961	2.0961	2.0961	3.1673	3.1673	3.1673
C3	1.4749	2.0961		2.4282	2.4282	1.1812	3.4703	3.4703
C4	1.4749	2.0961	2.4282		2.4282	3.4703	1.1812	3.4703
C5	1.4749	2.0961	2.4282	2.4282		3.4703	3.4703	1.1812
N6	2.6560	3.1673	1.1812	3.4703	3.4703		4.3850	4.3850
N7	2.6560	3.1673	3.4703	1.1812	3.4703	4.3850		4.3850
N8	2.6560	3.1673	3.4703	3.4703	1.1812	4.3850	4.3850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.877	C1	C4	N7	178.877
C1	C5	N8	178.877	H2	C1	C3	108.097
H2	C1	C4	108.097	H2	C1	C5	108.097
C3	C1	C4	110.809	C3	C1	C5	110.809
C4	C1	C5	110.809

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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