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	hartrees
Energy at 0K	-316.137679
Energy at 298.15K
HF Energy	-315.370743
Nuclear repulsion energy	213.086598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	2955	9.78
2	A₁	2522	2330	0.00
3	A₁	889	821	7.34
4	A₁	603	557	0.52
5	A₁	178	164	23.23
6	A₂	382	353	0.00
7	E	2517	2326	0.53
7	E	2517	2326	0.53
8	E	1361	1258	6.00
8	E	1361	1258	6.00
9	E	1095	1012	24.06
9	E	1095	1012	24.06
10	E	612	565	0.11
10	E	612	565	0.11
11	E	380	351	0.38
11	E	380	351	0.38
12	E	141	131	7.57
12	E	141	131	7.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.510
H2	0.000	0.000	1.607
C3	0.000	1.407	0.058
C4	1.218	-0.703	0.058
C5	-1.218	-0.703	0.058
N6	0.000	2.508	-0.272
N7	2.172	-1.254	-0.272
N8	-2.172	-1.254	-0.272

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0970	1.4776	1.4776	1.4776	2.6268	2.6268	2.6268
H2	1.0970		2.0926	2.0926	2.0926	3.1336	3.1336	3.1336
C3	1.4776	2.0926		2.4366	2.4366	1.1492	3.4502	3.4502
C4	1.4776	2.0926	2.4366		2.4366	3.4502	1.1492	3.4502
C5	1.4776	2.0926	2.4366	2.4366		3.4502	3.4502	1.1492
N6	2.6268	3.1336	1.1492	3.4502	3.4502		4.3433	4.3433
N7	2.6268	3.1336	3.4502	1.1492	3.4502	4.3433		4.3433
N8	2.6268	3.1336	3.4502	3.4502	1.1492	4.3433	4.3433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.878	C1	C4	N7	178.878
C1	C5	N8	178.878	H2	C1	C3	107.815
H2	C1	C4	107.815	H2	C1	C5	107.815
C3	C1	C4	111.075	C3	C1	C5	111.075
C4	C1	C5	111.075

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

using model chemistry: CID/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: CID/cc-pVDZ

States and conformations

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