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	hartrees
Energy at 0K	-316.711525
Energy at 298.15K
HF Energy	-315.437689
Nuclear repulsion energy	213.098991

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	3093	2937	12.25	78.75	0.11	0.20
2	A₁	2215	2103	1.18	72.34	0.05	0.09
3	A₁	842	799	5.91	6.39	0.07	0.14
4	A₁	572	543	0.11	3.46	0.00	0.00
5	A₁	164	156	21.72	1.96	0.70	0.82
6	A₂	350	332	0.00	0.00	0.75	0.86
7	E	2223	2110	13.14	18.56	0.75	0.86
7	E	2223	2110	13.14	18.56	0.75	0.86
8	E	1302	1236	2.05	2.20	0.75	0.86
8	E	1302	1236	2.05	2.20	0.75	0.86
9	E	1049	996	12.55	1.28	0.75	0.86
9	E	1049	996	12.55	1.28	0.75	0.86
10	E	572	543	0.00	1.49	0.75	0.86
10	E	572	543	0.00	1.49	0.75	0.86
11	E	349	331	0.17	2.11	0.75	0.86
11	E	349	331	0.17	2.11	0.75	0.86
12	E	130	123	7.04	3.72	0.75	0.86
12	E	130	123	7.04	3.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.514
H2	0.000	0.000	1.604
C3	0.000	1.390	0.062
C4	1.204	-0.695	0.062
C5	-1.204	-0.695	0.062
N6	0.000	2.507	-0.276
N7	2.171	-1.253	-0.276
N8	-2.171	-1.253	-0.276

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0905	1.4621	1.4621	1.4621	2.6284	2.6284	2.6284
H2	1.0905		2.0767	2.0767	2.0767	3.1339	3.1339	3.1339
C3	1.4621	2.0767		2.4084	2.4084	1.1665	3.4377	3.4377
C4	1.4621	2.0767	2.4084		2.4084	3.4377	1.1665	3.4377
C5	1.4621	2.0767	2.4084	2.4084		3.4377	3.4377	1.1665
N6	2.6284	3.1339	1.1665	3.4377	3.4377		4.3419	4.3419
N7	2.6284	3.1339	3.4377	1.1665	3.4377	4.3419		4.3419
N8	2.6284	3.1339	3.4377	3.4377	1.1665	4.3419	4.3419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.848	C1	C4	N7	178.848
C1	C5	N8	178.848	H2	C1	C3	108.009
H2	C1	C4	108.009	H2	C1	C5	108.009
C3	C1	C4	110.893	C3	C1	C5	110.893
C4	C1	C5	110.893

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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