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	hartrees
Energy at 0K	-316.619772
Energy at 298.15K
HF Energy	-315.456291
Nuclear repulsion energy	212.859078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3093	3093	9.83
2	A₁	2364	2364	0.38
3	A₁	849	849	6.74
4	A₁	575	575	0.38
5	A₁	168	168	24.32
6	A₂	352	352	0.00
7	E	2363	2363	3.76
7	E	2363	2363	3.76
8	E	1320	1320	3.69
8	E	1320	1320	3.69
9	E	1048	1048	17.52
9	E	1048	1048	17.52
10	E	579	579	0.04
10	E	579	579	0.04
11	E	350	350	0.40
11	E	350	350	0.40
12	E	133	133	7.74
12	E	133	133	7.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.510
H2	0.000	0.000	1.603
C3	0.000	1.406	0.058
C4	1.217	-0.703	0.058
C5	-1.217	-0.703	0.058
N6	0.000	2.511	-0.272
N7	2.174	-1.255	-0.272
N8	-2.174	-1.255	-0.272

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0926	1.4765	1.4765	1.4765	2.6300	2.6300	2.6300
H2	1.0926		2.0885	2.0885	2.0885	3.1338	3.1338	3.1338
C3	1.4765	2.0885		2.4346	2.4346	1.1536	3.4523	3.4523
C4	1.4765	2.0885	2.4346		2.4346	3.4523	1.1536	3.4523
C5	1.4765	2.0885	2.4346	2.4346		3.4523	3.4523	1.1536
N6	2.6300	3.1338	1.1536	3.4523	3.4523		4.3489	4.3489
N7	2.6300	3.1338	3.4523	1.1536	3.4523	4.3489		4.3489
N8	2.6300	3.1338	3.4523	3.4523	1.1536	4.3489	4.3489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.821	C1	C4	N7	178.821
C1	C5	N8	178.821	H2	C1	C3	107.826
H2	C1	C4	107.826	H2	C1	C5	107.826
C3	C1	C4	111.065	C3	C1	C5	111.065
C4	C1	C5	111.065

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

using model chemistry: QCISD/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: QCISD/Def2TZVPP

States and conformations

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