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	hartrees
Energy at 0K	-316.380077
Energy at 298.15K
HF Energy	-315.335835
Nuclear repulsion energy	210.908831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3103	2943
2	A₁	2311	2192
3	A₁	843	800
4	A₁	565	536
5	A₁	160	152
6	A₂	324	308
7	E	2310	2191
7	E	2310	2191
8	E	1317	1250
8	E	1317	1250
9	E	1037	983
9	E	1037	983
10	E	553	525
10	E	553	525
11	E	329	312
11	E	329	312
12	E	126	119
12	E	125	119

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.517
H2	0.000	0.000	1.614
C3	0.000	1.411	0.061
C4	1.222	-0.706	0.061
C5	-1.222	-0.706	0.061
N6	0.000	2.534	-0.277
N7	2.194	-1.267	-0.277
N8	-2.194	-1.267	-0.277

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0964	1.4833	1.4833	1.4833	2.6553	2.6553	2.6553
H2	1.0964		2.0985	2.0985	2.0985	3.1612	3.1612	3.1612
C3	1.4833	2.0985		2.4444	2.4444	1.1721	3.4788	3.4788
C4	1.4833	2.0985	2.4444		2.4444	3.4788	1.1721	3.4788
C5	1.4833	2.0985	2.4444	2.4444		3.4788	3.4788	1.1721
N6	2.6553	3.1612	1.1721	3.4788	3.4788		4.3889	4.3889
N7	2.6553	3.1612	3.4788	1.1721	3.4788	4.3889		4.3889
N8	2.6553	3.1612	3.4788	3.4788	1.1721	4.3889	4.3889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.783	C1	C4	N7	178.783
C1	C5	N8	178.783	H2	C1	C3	107.930
H2	C1	C4	107.930	H2	C1	C5	107.930
C3	C1	C4	110.968	C3	C1	C5	110.968
C4	C1	C5	110.968

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G**

States and conformations

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