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	hartrees
Energy at 0K	-316.373572
Energy at 298.15K
HF Energy	-315.462543
Nuclear repulsion energy	215.143951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3199	3199	13.99
2	A₁	2536	2536	0.02
3	A₁	895	895	5.54
4	A₁	607	607	1.37
5	A₁	181	181	28.58
6	A₂	389	389	0.00
7	E	2530	2530	0.17
7	E	2530	2530	0.17
8	E	1378	1378	4.96
8	E	1378	1378	4.96
9	E	1097	1097	22.37
9	E	1097	1097	22.37
10	E	620	620	0.49
10	E	620	620	0.49
11	E	387	387	0.75
11	E	387	387	0.75
12	E	143	143	8.95
12	E	143	143	8.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.503
H2	0.000	0.000	1.587
C3	0.000	1.397	0.055
C4	1.210	-0.699	0.055
C5	-1.210	-0.699	0.055
N6	0.000	2.485	-0.267
N7	2.152	-1.242	-0.267
N8	-2.152	-1.242	-0.267

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0839	1.4674	1.4674	1.4674	2.6014	2.6014	2.6014
H2	1.0839		2.0733	2.0733	2.0733	3.1002	3.1002	3.1002
C3	1.4674	2.0733		2.4203	2.4203	1.1342	3.4210	3.4210
C4	1.4674	2.0733	2.4203		2.4203	3.4210	1.1342	3.4210
C5	1.4674	2.0733	2.4203	2.4203		3.4210	3.4210	1.1342
N6	2.6014	3.1002	1.1342	3.4210	3.4210		4.3038	4.3038
N7	2.6014	3.1002	3.4210	1.1342	3.4210	4.3038		4.3038
N8	2.6014	3.1002	3.4210	3.4210	1.1342	4.3038	4.3038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.743	C1	C4	N7	178.743
C1	C5	N8	178.743	H2	C1	C3	107.765
H2	C1	C4	107.765	H2	C1	C5	107.765
C3	C1	C4	111.122	C3	C1	C5	111.122
C4	C1	C5	111.122

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

using model chemistry: CISD/Def2TZVPP

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/Def2TZVPP

States and conformations

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