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	hartrees
Energy at 0K	-316.350647
Energy at 298.15K
HF Energy	-315.361750
Nuclear repulsion energy	210.542874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	2969	5.58
2	A₁	2339	2244	0.36
3	A₁	841	807	8.17
4	A₁	570	547	0.04
5	A₁	165	158	19.13
6	A₂	344	330	0.00
7	E	2339	2244	4.99
7	E	2339	2244	4.99
8	E	1304	1251	4.39
8	E	1304	1251	4.39
9	E	1043	1001	18.37
9	E	1043	1001	18.37
10	E	569	546	0.02
10	E	569	546	0.02
11	E	343	329	0.15
11	E	343	329	0.15
12	E	131	126	6.34
12	E	131	126	6.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.517
H2	0.000	0.000	1.623
C3	0.000	1.417	0.061
C4	1.227	-0.709	0.061
C5	-1.227	-0.709	0.061
N6	0.000	2.538	-0.277
N7	2.198	-1.269	-0.277
N8	-2.198	-1.269	-0.277

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1063	1.4889	1.4889	1.4889	2.6591	2.6591	2.6591
H2	1.1063		2.1096	2.1096	2.1096	3.1706	3.1706	3.1706
C3	1.4889	2.1096		2.4548	2.4548	1.1703	3.4871	3.4871
C4	1.4889	2.1096	2.4548		2.4548	3.4871	1.1703	3.4871
C5	1.4889	2.1096	2.4548	2.4548		3.4871	3.4871	1.1703
N6	2.6591	3.1706	1.1703	3.4871	3.4871		4.3955	4.3955
N7	2.6591	3.1706	3.4871	1.1703	3.4871	4.3955		4.3955
N8	2.6591	3.1706	3.4871	3.4871	1.1703	4.3955	4.3955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.936	C1	C4	N7	178.936
C1	C5	N8	178.936	H2	C1	C3	107.848
H2	C1	C4	107.848	H2	C1	C5	107.848
C3	C1	C4	111.044	C3	C1	C5	111.044
C4	C1	C5	111.044

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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