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	hartrees
Energy at 0K	-315.753491
Energy at 298.15K
HF Energy	-315.186670
Nuclear repulsion energy	211.712061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	2916	6.76
2	A₁	2443	2285	0.00
3	A₁	888	831	13.62
4	A₁	597	558	0.11
5	A₁	174	162	21.42
6	A₂	354	331	0.00
7	E	2436	2278	0.39
7	E	2436	2278	0.39
8	E	1390	1300	0.85
8	E	1390	1300	0.85
9	E	1074	1005	34.79
9	E	1074	1005	34.79
10	E	590	552	0.03
10	E	590	552	0.03
11	E	357	334	0.04
11	E	357	334	0.04
12	E	137	129	7.13
12	E	137	129	7.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.506
H2	0.000	0.000	1.603
C3	0.000	1.412	0.058
C4	1.223	-0.706	0.058
C5	-1.223	-0.706	0.058
N6	0.000	2.527	-0.270
N7	2.188	-1.263	-0.270
N8	-2.188	-1.263	-0.270

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0976	1.4812	1.4812	1.4812	2.6433	2.6433	2.6433
H2	1.0976		2.0934	2.0934	2.0934	3.1457	3.1457	3.1457
C3	1.4812	2.0934		2.4452	2.4452	1.1623	3.4716	3.4716
C4	1.4812	2.0934	2.4452		2.4452	3.4716	1.1623	3.4716
C5	1.4812	2.0934	2.4452	2.4452		3.4716	3.4716	1.1623
N6	2.6433	3.1457	1.1623	3.4716	3.4716		4.3764	4.3764
N7	2.6433	3.1457	3.4716	1.1623	3.4716	4.3764		4.3764
N8	2.6433	3.1457	3.4716	3.4716	1.1623	4.3764	4.3764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.784	C1	C4	N7	178.784
C1	C5	N8	178.784	H2	C1	C3	107.613
H2	C1	C4	107.613	H2	C1	C5	107.613
C3	C1	C4	111.264	C3	C1	C5	111.264
C4	C1	C5	111.264

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

using model chemistry: CID/6-31G

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: CID/6-31G

States and conformations

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