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	hartrees
Energy at 0K	-316.215091
Energy at 298.15K
HF Energy	-315.415391
Nuclear repulsion energy	214.438724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3197	2970	9.59
2	A₁	2527	2348	0.02
3	A₁	897	833	7.76
4	A₁	606	563	0.74
5	A₁	182	169	24.89
6	A₂	392	364	0.00
7	E	2522	2344	0.66
7	E	2522	2344	0.66
8	E	1386	1288	3.57
8	E	1386	1288	3.57
9	E	1098	1020	26.64
9	E	1098	1020	26.64
10	E	620	576	0.23
10	E	620	576	0.23
11	E	389	362	0.38
11	E	389	362	0.38
12	E	144	134	8.17
12	E	144	134	8.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.508
H2	0.000	0.000	1.597
C3	0.000	1.400	0.057
C4	1.213	-0.700	0.057
C5	-1.213	-0.700	0.057
N6	0.000	2.492	-0.270
N7	2.158	-1.246	-0.270
N8	-2.158	-1.246	-0.270

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0888	1.4713	1.4713	1.4713	2.6104	2.6104	2.6104
H2	1.0888		2.0814	2.0814	2.0814	3.1135	3.1135	3.1135
C3	1.4713	2.0814		2.4257	2.4257	1.1392	3.4302	3.4302
C4	1.4713	2.0814	2.4257		2.4257	3.4302	1.1392	3.4302
C5	1.4713	2.0814	2.4257	2.4257		3.4302	3.4302	1.1392
N6	2.6104	3.1135	1.1392	3.4302	3.4302		4.3158	4.3158
N7	2.6104	3.1135	3.4302	1.1392	3.4302	4.3158		4.3158
N8	2.6104	3.1135	3.4302	3.4302	1.1392	4.3158	4.3158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.839	C1	C4	N7	178.839
C1	C5	N8	178.839	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: CID/6-311G*

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/6-311G*

States and conformations

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