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	hartrees
Energy at 0K	-316.372922
Energy at 298.15K
HF Energy	-315.337698
Nuclear repulsion energy	211.057556

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	3120	2930	10.00	85.05	0.12	0.21
2	A₁	2196	2062	1.40	79.03	0.03	0.07
3	A₁	847	796	9.26	7.05	0.08	0.15
4	A₁	565	531	0.00	3.89	0.00	0.00
5	A₁	163	153	20.70	2.41	0.67	0.81
6	A₂	336	315	0.00	0.00	0.75	0.86
7	E	2203	2069	15.08	16.49	0.75	0.86
7	E	2203	2069	15.08	16.49	0.75	0.86
8	E	1316	1236	3.55	3.19	0.75	0.86
8	E	1316	1236	3.55	3.19	0.75	0.86
9	E	1046	982	16.95	1.59	0.75	0.86
9	E	1046	982	16.95	1.59	0.75	0.86
10	E	562	527	0.18	1.94	0.75	0.86
10	E	562	527	0.18	1.94	0.75	0.86
11	E	336	315	0.04	3.13	0.75	0.86
11	E	336	315	0.04	3.13	0.75	0.86
12	E	128	120	6.76	4.87	0.75	0.86
12	E	128	120	6.76	4.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.514
H2	0.000	0.000	1.609
C3	0.000	1.401	0.060
C4	1.214	-0.701	0.060
C5	-1.214	-0.701	0.060
N6	0.000	2.534	-0.274
N7	2.194	-1.267	-0.274
N8	-2.194	-1.267	-0.274

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0950	1.4731	1.4731	1.4731	2.6537	2.6537	2.6537
H2	1.0950		2.0890	2.0890	2.0890	3.1572	3.1572	3.1572
C3	1.4731	2.0890		2.4271	2.4271	1.1808	3.4709	3.4709
C4	1.4731	2.0890	2.4271		2.4271	3.4709	1.1808	3.4709
C5	1.4731	2.0890	2.4271	2.4271		3.4709	3.4709	1.1808
N6	2.6537	3.1572	1.1808	3.4709	3.4709		4.3889	4.3889
N7	2.6537	3.1572	3.4709	1.1808	3.4709	4.3889		4.3889
N8	2.6537	3.1572	3.4709	3.4709	1.1808	4.3889	4.3889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.471	C1	C4	N7	178.471
C1	C5	N8	178.471	H2	C1	C3	107.961
H2	C1	C4	107.961	H2	C1	C5	107.961
C3	C1	C4	110.939	C3	C1	C5	110.939
C4	C1	C5	110.939

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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