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	hartrees
Energy at 0K	-315.917949
Energy at 298.15K
HF Energy	-315.164337
Nuclear repulsion energy	207.945873

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	3042	2890	3.66	79.80	0.18	0.30
2	A₁	2084	1980	1.87	28.02	0.06	0.11
3	A₁	832	790	12.70	6.90	0.13	0.23
4	A₁	553	525	0.08	4.22	0.00	0.00
5	A₁	151	143	17.13	2.67	0.71	0.83
6	A₂	302	287	0.00	0.00	0.75	0.86
7	E	2090	1986	19.24	11.19	0.75	0.86
7	E	2090	1986	19.24	11.19	0.75	0.86
8	E	1337	1270	0.30	4.71	0.75	0.86
8	E	1337	1270	0.30	4.71	0.75	0.86
9	E	1000	950	17.92	3.34	0.75	0.86
9	E	1000	950	17.92	3.34	0.75	0.86
10	E	532	506	0.57	1.99	0.75	0.86
10	E	532	506	0.57	1.99	0.75	0.86
11	E	299	284	0.00	4.36	0.75	0.86
11	E	299	284	0.00	4.36	0.75	0.86
12	E	120	114	5.89	5.61	0.75	0.86
12	E	120	114	5.89	5.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.515
H2	0.000	0.000	1.620
C3	0.000	1.421	0.062
C4	1.230	-0.710	0.062
C5	-1.230	-0.710	0.062
N6	0.000	2.574	-0.277
N7	2.229	-1.287	-0.277
N8	-2.229	-1.287	-0.277

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1048	1.4913	1.4913	1.4913	2.6931	2.6931	2.6931
H2	1.1048		2.1089	2.1089	2.1089	3.1976	3.1976	3.1976
C3	1.4913	2.1089		2.4605	2.4605	1.2019	3.5233	3.5233
C4	1.4913	2.1089	2.4605		2.4605	3.5233	1.2019	3.5233
C5	1.4913	2.1089	2.4605	2.4605		3.5233	3.5233	1.2019
N6	2.6931	3.1976	1.2019	3.5233	3.5233		4.4579	4.4579
N7	2.6931	3.1976	3.5233	1.2019	3.5233	4.4579		4.4579
N8	2.6931	3.1976	3.5233	3.5233	1.2019	4.4579	4.4579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.658	C1	C4	N7	178.658
C1	C5	N8	178.658	H2	C1	C3	107.715
H2	C1	C4	107.715	H2	C1	C5	107.715
C3	C1	C4	111.169	C3	C1	C5	111.169
C4	C1	C5	111.169

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

using model chemistry: MP2=FULL/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=FULL/6-31G

States and conformations

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