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	hartrees
Energy at 0K	-316.364352
Energy at 298.15K
HF Energy	-315.448406
Nuclear repulsion energy	215.160574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3189	2939	14.50
2	A₁	2532	2334	0.02
3	A₁	892	823	4.98
4	A₁	604	556	1.53
5	A₁	180	166	29.59
6	A₂	385	355	0.00
7	E	2527	2329	0.12
7	E	2527	2329	0.12
8	E	1375	1267	5.23
8	E	1375	1267	5.23
9	E	1094	1008	22.11
9	E	1094	1008	22.11
10	E	618	570	0.63
10	E	618	570	0.63
11	E	384	354	0.82
11	E	384	354	0.82
12	E	143	132	9.17
12	E	143	132	9.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.502
H2	0.000	0.000	1.587
C3	0.000	1.397	0.054
C4	1.210	-0.699	0.054
C5	-1.210	-0.699	0.054
N6	0.000	2.485	-0.266
N7	2.152	-1.243	-0.266
N8	-2.152	-1.243	-0.266

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0850	1.4675	1.4675	1.4675	2.6010	2.6010	2.6010
H2	1.0850		2.0745	2.0745	2.0745	3.0998	3.0998	3.0998
C3	1.4675	2.0745		2.4203	2.4203	1.1337	3.4210	3.4210
C4	1.4675	2.0745	2.4203		2.4203	3.4210	1.1337	3.4210
C5	1.4675	2.0745	2.4203	2.4203		3.4210	3.4210	1.1337
N6	2.6010	3.0998	1.1337	3.4210	3.4210		4.3043	4.3043
N7	2.6010	3.0998	3.4210	1.1337	3.4210	4.3043		4.3043
N8	2.6010	3.0998	3.4210	3.4210	1.1337	4.3043	4.3043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.591	C1	C4	N7	178.591
C1	C5	N8	178.591	H2	C1	C3	107.784
H2	C1	C4	107.784	H2	C1	C5	107.784
C3	C1	C4	111.105	C3	C1	C5	111.105
C4	C1	C5	111.105

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

using model chemistry: CISD/6-311+G(3df,2p)

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: CISD/6-311+G(3df,2p)

States and conformations

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