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	hartrees
Energy at 0K	-316.431817
Energy at 298.15K
HF Energy	-315.400169
Nuclear repulsion energy	211.528595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3090	2936	8.08	81.36	0.14	0.25
2	A₁	2187	2078	1.72	54.43	0.05	0.10
3	A₁	843	801	8.03	6.56	0.10	0.18
4	A₁	567	539	0.01	3.05	0.00	0.00
5	A₁	161	153	19.10	2.53	0.71	0.83
6	A₂	349	331	0.00	0.00	0.75	0.86
7	E	2195	2086	17.99	17.13	0.75	0.86
7	E	2195	2086	17.99	17.13	0.75	0.86
8	E	1301	1236	2.54	3.00	0.75	0.86
8	E	1301	1236	2.54	3.00	0.75	0.86
9	E	1039	987	14.80	1.95	0.75	0.86
9	E	1039	987	14.80	1.95	0.75	0.86
10	E	568	540	0.03	2.05	0.75	0.86
10	E	568	540	0.03	2.05	0.75	0.86
11	E	341	324	0.10	3.05	0.75	0.86
11	E	341	324	0.10	3.05	0.75	0.86
12	E	129	123	6.47	4.65	0.75	0.86
12	E	129	123	6.47	4.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.522
H2	0.000	0.000	1.620
C3	0.000	1.401	0.065
C4	1.214	-0.701	0.065
C5	-1.214	-0.701	0.065
N6	0.000	2.524	-0.282
N7	2.186	-1.262	-0.282
N8	-2.186	-1.262	-0.282

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0983	1.4740	1.4740	1.4740	2.6485	2.6485	2.6485
H2	1.0983		2.0938	2.0938	2.0938	3.1601	3.1601	3.1601
C3	1.4740	2.0938		2.4271	2.4271	1.1746	3.4624	3.4624
C4	1.4740	2.0938	2.4271		2.4271	3.4624	1.1746	3.4624
C5	1.4740	2.0938	2.4271	2.4271		3.4624	3.4624	1.1746
N6	2.6485	3.1601	1.1746	3.4624	3.4624		4.3710	4.3710
N7	2.6485	3.1601	3.4624	1.1746	3.4624	4.3710		4.3710
N8	2.6485	3.1601	3.4624	3.4624	1.1746	4.3710	4.3710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.068	C1	C4	N7	179.068
C1	C5	N8	179.068	H2	C1	C3	108.079
H2	C1	C4	108.079	H2	C1	C5	108.079
C3	C1	C4	110.826	C3	C1	C5	110.826
C4	C1	C5	110.826

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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