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	hartrees
Energy at 0K	-314.291925
Energy at 298.15K
HF Energy	-313.563548
Nuclear repulsion energy	209.827942

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	3084	2944	7.02	72.17	0.21	0.34
2	A₁	2131	2034	2.95	22.09	0.06	0.11
3	A₁	853	814	10.86	6.29	0.15	0.26
4	A₁	578	552	0.01	3.91	0.00	0.00
5	A₁	189	181	14.33	2.33	0.71	0.83
6	A₂	421	402	0.00	0.00	0.75	0.86
7	E	2132	2035	20.91	9.63	0.75	0.86
7	E	2132	2035	20.91	9.63	0.75	0.86
8	E	1357	1295	0.06	4.91	0.75	0.86
8	E	1357	1295	0.06	4.91	0.75	0.86
9	E	1002	956	16.24	3.31	0.75	0.86
9	E	1002	956	16.24	3.31	0.75	0.86
10	E	608	580	0.14	2.12	0.75	0.86
10	E	608	580	0.14	2.12	0.75	0.86
11	E	415	396	0.02	3.15	0.75	0.86
11	E	415	396	0.02	3.15	0.75	0.86
12	E	153	146	4.99	4.21	0.75	0.86
12	E	153	146	4.99	4.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.541
H2	0.000	0.000	1.643
C3	0.000	1.407	0.070
C4	1.219	-0.704	0.070
C5	-1.219	-0.704	0.070
N6	0.000	2.539	-0.293
N7	2.199	-1.270	-0.293
N8	-2.199	-1.270	-0.293

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1013	1.4840	1.4840	1.4840	2.6730	2.6730	2.6730
H2	1.1013		2.1101	2.1101	2.1101	3.1931	3.1931	3.1931
C3	1.4840	2.1101		2.4373	2.4373	1.1891	3.4833	3.4833
C4	1.4840	2.1101	2.4373		2.4373	3.4833	1.1891	3.4833
C5	1.4840	2.1101	2.4373	2.4373		3.4833	3.4833	1.1891
N6	2.6730	3.1931	1.1891	3.4833	3.4833		4.3982	4.3982
N7	2.6730	3.1931	3.4833	1.1891	3.4833	4.3982		4.3982
N8	2.6730	3.1931	3.4833	3.4833	1.1891	4.3982	4.3982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.290	C1	C4	N7	179.290
C1	C5	N8	179.290	H2	C1	C3	108.510
H2	C1	C4	108.510	H2	C1	C5	108.510
C3	C1	C4	110.415	C3	C1	C5	110.415
C4	C1	C5	110.415

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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