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	hartrees
Energy at 0K	-316.489268
Energy at 298.15K
HF Energy	-315.357561
Nuclear repulsion energy	211.980213

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	3099	2927	11.61	75.38	0.15	0.26
2	A₁	2206	2084	1.36	57.83	0.05	0.10
3	A₁	842	795	4.85	6.83	0.08	0.14
4	A₁	568	537	0.33	3.07	0.00	0.00
5	A₁	163	154	22.15	2.07	0.70	0.82
6	A₂	349	330	0.00	0.00	0.75	0.86
7	E	2211	2089	14.71	17.68	0.75	0.86
7	E	2211	2089	14.71	17.68	0.75	0.86
8	E	1296	1224	2.04	2.88	0.75	0.86
8	E	1296	1224	2.04	2.88	0.75	0.86
9	E	1038	981	12.91	1.85	0.75	0.86
9	E	1038	981	12.91	1.85	0.75	0.86
10	E	565	533	0.01	1.55	0.75	0.86
10	E	565	533	0.01	1.55	0.75	0.86
11	E	346	327	0.34	2.33	0.75	0.86
11	E	346	327	0.34	2.33	0.75	0.86
12	E	129	122	7.22	3.87	0.75	0.86
12	E	129	122	7.22	3.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.521
H2	0.000	0.000	1.618
C3	0.000	1.396	0.064
C4	1.209	-0.698	0.064
C5	-1.209	-0.698	0.064
N6	0.000	2.518	-0.280
N7	2.181	-1.259	-0.280
N8	-2.181	-1.259	-0.280

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0972	1.4695	1.4695	1.4695	2.6430	2.6430	2.6430
H2	1.0972		2.0898	2.0898	2.0898	3.1541	3.1541	3.1541
C3	1.4695	2.0898		2.4187	2.4187	1.1736	3.4537	3.4537
C4	1.4695	2.0898	2.4187		2.4187	3.4537	1.1736	3.4537
C5	1.4695	2.0898	2.4187	2.4187		3.4537	3.4537	1.1736
N6	2.6430	3.1541	1.1736	3.4537	3.4537		4.3621	4.3621
N7	2.6430	3.1541	3.4537	1.1736	3.4537	4.3621		4.3621
N8	2.6430	3.1541	3.4537	3.4537	1.1736	4.3621	4.3621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.907	C1	C4	N7	178.907
C1	C5	N8	178.907	H2	C1	C3	108.143
H2	C1	C4	108.143	H2	C1	C5	108.143
C3	C1	C4	110.767	C3	C1	C5	110.767
C4	C1	C5	110.767

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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