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	hartrees
Energy at 0K	-316.460912
Energy at 298.15K
HF Energy	-315.436575
Nuclear repulsion energy	212.861892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	2956	7.27
2	A₁	2380	2271	0.54
3	A₁	859	820	8.96
4	A₁	579	552	0.15
5	A₁	167	159	21.74
6	A₂	343	328	0.00
7	E	2378	2270	5.45
7	E	2378	2270	5.45
8	E	1327	1266	3.97
8	E	1327	1266	3.97
9	E	1051	1003	20.11
9	E	1051	1003	20.11
10	E	580	553	0.00
10	E	580	553	0.00
11	E	345	330	0.21
11	E	345	330	0.21
12	E	133	127	7.15
12	E	133	127	7.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.512
H2	0.000	0.000	1.607
C3	0.000	1.405	0.059
C4	1.216	-0.702	0.059
C5	-1.216	-0.702	0.059
N6	0.000	2.510	-0.274
N7	2.174	-1.255	-0.274
N8	-2.174	-1.255	-0.274

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0946	1.4759	1.4759	1.4759	2.6301	2.6301	2.6301
H2	1.0946		2.0900	2.0900	2.0900	3.1362	3.1362	3.1362
C3	1.4759	2.0900		2.4329	2.4329	1.1544	3.4510	3.4510
C4	1.4759	2.0900	2.4329		2.4329	3.4510	1.1544	3.4510
C5	1.4759	2.0900	2.4329	2.4329		3.4510	3.4510	1.1544
N6	2.6301	3.1362	1.1544	3.4510	3.4510		4.3475	4.3475
N7	2.6301	3.1362	3.4510	1.1544	3.4510	4.3475		4.3475
N8	2.6301	3.1362	3.4510	3.4510	1.1544	4.3475	4.3475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.877	C1	C4	N7	178.877
C1	C5	N8	178.877	H2	C1	C3	107.876
H2	C1	C4	107.876	H2	C1	C5	107.876
C3	C1	C4	111.018	C3	C1	C5	111.018
C4	C1	C5	111.018

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

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

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