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	hartrees
Energy at 0K	-316.355179
Energy at 298.15K
HF Energy	-315.330795
Nuclear repulsion energy	211.248040

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	3127	2922	7.44	80.69	0.17	0.28
2	A₁	2208	2064	1.49	44.14	0.06	0.12
3	A₁	853	797	6.66	6.47	0.11	0.19
4	A₁	570	532	0.10	2.62	0.00	0.00
5	A₁	163	152	20.46	2.60	0.71	0.83
6	A₂	344	321	0.00	0.00	0.75	0.86
7	E	2215	2070	16.62	16.63	0.75	0.86
7	E	2215	2070	16.62	16.63	0.75	0.86
8	E	1321	1235	2.36	3.76	0.75	0.86
8	E	1321	1235	2.36	3.76	0.75	0.86
9	E	1049	980	14.63	2.34	0.75	0.86
9	E	1049	980	14.63	2.34	0.75	0.86
10	E	565	528	0.02	2.23	0.75	0.86
10	E	565	528	0.02	2.23	0.75	0.86
11	E	342	320	0.17	3.51	0.75	0.86
11	E	342	320	0.17	3.51	0.75	0.86
12	E	129	120	6.81	4.92	0.75	0.86
12	E	129	120	6.81	4.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.520
H2	0.000	0.000	1.614
C3	0.000	1.400	0.064
C4	1.212	-0.700	0.064
C5	-1.212	-0.700	0.064
N6	0.000	2.529	-0.280
N7	2.190	-1.264	-0.280
N8	-2.190	-1.264	-0.280

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0945	1.4724	1.4724	1.4724	2.6522	2.6522	2.6522
H2	1.0945		2.0891	2.0891	2.0891	3.1595	3.1595	3.1595
C3	1.4724	2.0891		2.4248	2.4248	1.1799	3.4659	3.4659
C4	1.4724	2.0891	2.4248		2.4248	3.4659	1.1799	3.4659
C5	1.4724	2.0891	2.4248	2.4248		3.4659	3.4659	1.1799
N6	2.6522	3.1595	1.1799	3.4659	3.4659		4.3799	4.3799
N7	2.6522	3.1595	3.4659	1.1799	3.4659	4.3799		4.3799
N8	2.6522	3.1595	3.4659	3.4659	1.1799	4.3799	4.3799

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	108.048
H2	C1	C4	108.048	H2	C1	C5	108.048
C3	C1	C4	110.856	C3	C1	C5	110.856
C4	C1	C5	110.856

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

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

States and conformations

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