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	hartrees
Energy at 0K	-316.119779
Energy at 298.15K
HF Energy	-315.345209
Nuclear repulsion energy	213.749134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	2951	10.97
2	A₁	2540	2346	0.00
3	A₁	902	833	7.14
4	A₁	606	559	0.89
5	A₁	179	166	25.56
6	A₂	378	349	0.00
7	E	2535	2342	0.51
7	E	2535	2342	0.51
8	E	1389	1283	3.77
8	E	1389	1283	3.77
9	E	1101	1017	26.63
9	E	1101	1017	26.63
10	E	610	564	0.17
10	E	610	564	0.17
11	E	381	352	0.48
11	E	381	352	0.48
12	E	140	130	8.34
12	E	140	130	8.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.511
H2	0.000	0.000	1.602
C3	0.000	1.402	0.058
C4	1.214	-0.701	0.058
C5	-1.214	-0.701	0.058
N6	0.000	2.499	-0.272
N7	2.165	-1.250	-0.272
N8	-2.165	-1.250	-0.272

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0906	1.4730	1.4730	1.4730	2.6192	2.6192	2.6192
H2	1.0906		2.0851	2.0851	2.0851	3.1237	3.1237	3.1237
C3	1.4730	2.0851		2.4278	2.4278	1.1463	3.4386	3.4386
C4	1.4730	2.0851	2.4278		2.4278	3.4386	1.1463	3.4386
C5	1.4730	2.0851	2.4278	2.4278		3.4386	3.4386	1.1463
N6	2.6192	3.1237	1.1463	3.4386	3.4386		4.3291	4.3291
N7	2.6192	3.1237	3.4386	1.1463	3.4386	4.3291		4.3291
N8	2.6192	3.1237	3.4386	3.4386	1.1463	4.3291	4.3291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.820	C1	C4	N7	178.820
C1	C5	N8	178.820	H2	C1	C3	107.910
H2	C1	C4	107.910	H2	C1	C5	107.910
C3	C1	C4	110.986	C3	C1	C5	110.986
C4	C1	C5	110.986

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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