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	hartrees
Energy at 0K	-316.436617
Energy at 298.15K
HF Energy	-315.409847
Nuclear repulsion energy	212.127655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	3090	6.19
2	A₁	2362	2362	0.54
3	A₁	850	850	9.04
4	A₁	575	575	0.09
5	A₁	168	168	20.68
6	A₂	354	354	0.00
7	E	2361	2361	6.40
7	E	2361	2361	6.40
8	E	1321	1321	4.00
8	E	1321	1321	4.00
9	E	1048	1048	19.79
9	E	1048	1048	19.79
10	E	578	578	0.00
10	E	578	578	0.00
11	E	351	351	0.19
11	E	351	351	0.19
12	E	134	134	6.88
12	E	134	134	6.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.515
H2	0.000	0.000	1.613
C3	0.000	1.410	0.060
C4	1.221	-0.705	0.060
C5	-1.221	-0.705	0.060
N6	0.000	2.518	-0.275
N7	2.181	-1.259	-0.275
N8	-2.181	-1.259	-0.275

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0979	1.4812	1.4812	1.4812	2.6394	2.6394	2.6394
H2	1.0979		2.0973	2.0973	2.0973	3.1475	3.1475	3.1475
C3	1.4812	2.0973		2.4415	2.4415	1.1583	3.4628	3.4628
C4	1.4812	2.0973	2.4415		2.4415	3.4628	1.1583	3.4628
C5	1.4812	2.0973	2.4415	2.4415		3.4628	3.4628	1.1583
N6	2.6394	3.1475	1.1583	3.4628	3.4628		4.3619	4.3619
N7	2.6394	3.1475	3.4628	1.1583	3.4628	4.3619		4.3619
N8	2.6394	3.1475	3.4628	3.4628	1.1583	4.3619	4.3619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.920	C1	C4	N7	178.920
C1	C5	N8	178.920	H2	C1	C3	107.895
H2	C1	C4	107.895	H2	C1	C5	107.895
C3	C1	C4	111.001	C3	C1	C5	111.001
C4	C1	C5	111.001

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

using model chemistry: CCSD/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: CCSD/6-311G**

States and conformations

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