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	hartrees
Energy at 0K	-316.443516
Energy at 298.15K
HF Energy	-315.369263
Nuclear repulsion energy	209.724411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3047	2979
2	A₁	2260	2210
3	A₁	820	802
4	A₁	554	542
5	A₁	157	153
6	A₂	320	313
7	E	2260	2210
7	E	2260	2210
8	E	1266	1238
8	E	1266	1238
9	E	1018	995
9	E	1018	995
10	E	550	538
10	E	550	538
11	E	322	315
11	E	322	315
12	E	125	122
12	E	124	121

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.521
H2	0.000	0.000	1.628
C3	0.000	1.420	0.061
C4	1.230	-0.710	0.061
C5	-1.230	-0.710	0.061
N6	0.000	2.548	-0.278
N7	2.206	-1.274	-0.278
N8	-2.206	-1.274	-0.278

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1076	1.4928	1.4928	1.4928	2.6701	2.6701	2.6701
H2	1.1076		2.1153	2.1153	2.1153	3.1821	3.1821	3.1821
C3	1.4928	2.1153		2.4597	2.4597	1.1775	3.4987	3.4987
C4	1.4928	2.1153	2.4597		2.4597	3.4987	1.1775	3.4987
C5	1.4928	2.1153	2.4597	2.4597		3.4987	3.4987	1.1775
N6	2.6701	3.1821	1.1775	3.4987	3.4987		4.4129	4.4129
N7	2.6701	3.1821	3.4987	1.1775	3.4987	4.4129		4.4129
N8	2.6701	3.1821	3.4987	3.4987	1.1775	4.4129	4.4129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.769	C1	C4	N7	178.769
C1	C5	N8	178.769	H2	C1	C3	107.952
H2	C1	C4	107.952	H2	C1	C5	107.952
C3	C1	C4	110.947	C3	C1	C5	110.947
C4	C1	C5	110.947

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

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