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	hartrees
Energy at 0K	-316.303721
Energy at 298.15K
HF Energy	-315.341797
Nuclear repulsion energy	212.328468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3107	2916	9.81
2	A₁	2478	2326	0.05
3	A₁	869	816	7.79
4	A₁	585	549	0.30
5	A₁	168	158	22.63
6	A₂	340	319	0.00
7	E	2471	2319	1.85
7	E	2471	2319	1.85
8	E	1345	1263	2.77
8	E	1345	1263	2.77
9	E	1070	1004	23.39
9	E	1070	1004	23.39
10	E	577	542	0.00
10	E	577	542	0.00
11	E	347	326	0.28
11	E	347	326	0.28
12	E	131	123	7.48
12	E	131	123	7.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.513
H2	0.000	0.000	1.611
C3	0.000	1.408	0.059
C4	1.220	-0.704	0.059
C5	-1.220	-0.704	0.059
N6	0.000	2.516	-0.274
N7	2.179	-1.258	-0.274
N8	-2.179	-1.258	-0.274

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0983	1.4798	1.4798	1.4798	2.6366	2.6366	2.6366
H2	1.0983		2.0960	2.0960	2.0960	3.1443	3.1443	3.1443
C3	1.4798	2.0960		2.4395	2.4395	1.1569	3.4599	3.4599
C4	1.4798	2.0960	2.4395		2.4395	3.4599	1.1569	3.4599
C5	1.4798	2.0960	2.4395	2.4395		3.4599	3.4599	1.1569
N6	2.6366	3.1443	1.1569	3.4599	3.4599		4.3585	4.3585
N7	2.6366	3.1443	3.4599	1.1569	3.4599	4.3585		4.3585
N8	2.6366	3.1443	3.4599	3.4599	1.1569	4.3585	4.3585

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	107.861
H2	C1	C4	107.861	H2	C1	C5	107.861
C3	C1	C4	111.033	C3	C1	C5	111.033
C4	C1	C5	111.033

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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