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	hartrees
Energy at 0K	-314.326966
Energy at 298.15K
HF Energy	-313.564575
Nuclear repulsion energy	209.615054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3031	2939
2	A₁	2128	2064
3	A₁	839	814
4	A₁	599	581
5	A₁	187	181
6	A₂	416	404
7	E	2141	2076
7	E	2141	2076
8	E	1336	1295
8	E	1336	1295
9	E	984	955
9	E	984	955
10	E	599	581
10	E	570	553
11	E	412	400
11	E	412	400
12	E	151	147
12	E	151	146

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.545
H2	0.000	0.000	1.651
C3	0.000	1.411	0.071
C4	1.222	-0.706	0.071
C5	-1.222	-0.706	0.071
N6	0.000	2.540	-0.295
N7	2.200	-1.270	-0.295
N8	-2.200	-1.270	-0.295

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1054	1.4889	1.4889	1.4889	2.6758	2.6758	2.6758
H2	1.1054		2.1186	2.1186	2.1186	3.2000	3.2000	3.2000
C3	1.4889	2.1186		2.4443	2.4443	1.1869	3.4877	3.4877
C4	1.4889	2.1186	2.4443		2.4443	3.4877	1.1869	3.4877
C5	1.4889	2.1186	2.4443	2.4443		3.4877	3.4877	1.1869
N6	2.6758	3.2000	1.1869	3.4877	3.4877		4.4001	4.4001
N7	2.6758	3.2000	3.4877	1.1869	3.4877	4.4001		4.4001
N8	2.6758	3.2000	3.4877	3.4877	1.1869	4.4001	4.4001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.349	C1	C4	N7	179.349
C1	C5	N8	179.349	H2	C1	C3	108.596
H2	C1	C4	108.596	H2	C1	C5	108.596
C3	C1	C4	110.332	C3	C1	C5	110.332
C4	C1	C5	110.332

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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