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	hartrees
Energy at 0K	-316.671779
Energy at 298.15K
HF Energy	-315.441111
Nuclear repulsion energy	212.151995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3065	2988
2	A₁	2305	2247
3	A₁	833	812
4	A₁	566	552
5	A₁	159	155
6	A₂	335	326
7	E	2302	2244
7	E	2302	2244
8	E	1297	1264
8	E	1297	1264
9	E	1029	1003
9	E	1029	1003
10	E	563	549
10	E	563	549
11	E	333	325
11	E	332	324
12	E	143	139
12	E	127	124

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	1.218	-0.703	0.059
C5	-1.218	-0.703	0.059
N6	0.000	2.519	-0.274
N7	2.181	-1.259	-0.274
N8	-2.181	-1.259	-0.274

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0947	1.4782	1.4782	1.4782	2.6392	2.6392	2.6392
H2	1.0947		2.0923	2.0923	2.0923	3.1446	3.1446	3.1446
C3	1.4782	2.0923		2.4365	2.4365	1.1611	3.4610	3.4610
C4	1.4782	2.0923	2.4365		2.4365	3.4610	1.1611	3.4610
C5	1.4782	2.0923	2.4365	2.4365		3.4610	3.4610	1.1611
N6	2.6392	3.1446	1.1611	3.4610	3.4610		4.3628	4.3628
N7	2.6392	3.1446	3.4610	1.1611	3.4610	4.3628		4.3628
N8	2.6392	3.1446	3.4610	3.4610	1.1611	4.3628	4.3628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.812	C1	C4	N7	178.812
C1	C5	N8	178.812	H2	C1	C3	107.890
H2	C1	C4	107.890	H2	C1	C5	107.890
C3	C1	C4	111.005	C3	C1	C5	111.005
C4	C1	C5	111.005

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

using model chemistry: CCSD(T)/cc-pVTZ

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)/cc-pVTZ

States and conformations

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