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	hartrees
Energy at 0K	-316.682036
Energy at 298.15K
HF Energy	-315.452421
Nuclear repulsion energy	212.129317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3067	3067
2	A₁	2300	2300
3	A₁	833	833
4	A₁	565	565
5	A₁	163	163
6	A₂	338	338
7	E	2298	2298
7	E	2298	2298
8	E	1298	1298
8	E	1298	1298
9	E	1029	1029
9	E	1029	1029
10	E	563	563
10	E	562	562
11	E	337	337
11	E	336	336
12	E	130	130
12	E	129	129

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.514
H2	0.000	0.000	1.608
C3	0.000	1.407	0.059
C4	1.219	-0.704	0.059
C5	-1.219	-0.704	0.059
N6	0.000	2.519	-0.274
N7	2.182	-1.260	-0.274
N8	-2.182	-1.260	-0.274

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0948	1.4786	1.4786	1.4786	2.6395	2.6395	2.6395
H2	1.0948		2.0928	2.0928	2.0928	3.1448	3.1448	3.1448
C3	1.4786	2.0928		2.4371	2.4371	1.1610	3.4615	3.4615
C4	1.4786	2.0928	2.4371		2.4371	3.4615	1.1610	3.4615
C5	1.4786	2.0928	2.4371	2.4371		3.4615	3.4615	1.1610
N6	2.6395	3.1448	1.1610	3.4615	3.4615		4.3634	4.3634
N7	2.6395	3.1448	3.4615	1.1610	3.4615	4.3634		4.3634
N8	2.6395	3.1448	3.4615	3.4615	1.1610	4.3634	4.3634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.786	C1	C4	N7	178.786
C1	C5	N8	178.786	H2	C1	C3	107.895
H2	C1	C4	107.895	H2	C1	C5	107.895
C3	C1	C4	111.000	C3	C1	C5	111.000
C4	C1	C5	111.000

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

using model chemistry: QCISD(T)/Def2TZVPP

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: QCISD(T)/Def2TZVPP

States and conformations

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