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	hartrees
Energy at 0K	-316.341077
Energy at 298.15K
HF Energy	-315.336750
Nuclear repulsion energy	210.773472

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	3117	2932	9.81	85.18	0.12	0.21
2	A₁	2188	2058	1.48	78.77	0.03	0.07
3	A₁	847	796	9.53	7.03	0.08	0.15
4	A₁	565	532	0.00	4.01	0.00	0.00
5	A₁	160	150	20.51	2.43	0.68	0.81
6	A₂	326	307	0.00	0.00	0.75	0.86
7	E	2196	2065	15.56	16.41	0.75	0.86
7	E	2196	2065	15.56	16.41	0.75	0.86
8	E	1314	1236	3.71	3.22	0.75	0.86
8	E	1314	1236	3.71	3.22	0.75	0.86
9	E	1043	981	17.27	1.60	0.75	0.86
9	E	1043	981	17.27	1.60	0.75	0.86
10	E	555	522	0.24	1.88	0.75	0.86
10	E	555	522	0.24	1.88	0.75	0.86
11	E	327	307	0.04	3.13	0.75	0.86
11	E	327	307	0.04	3.13	0.75	0.86
12	E	125	117	6.69	4.94	0.75	0.86
12	E	125	117	6.69	4.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.514
H2	0.000	0.000	1.610
C3	0.000	1.404	0.060
C4	1.216	-0.702	0.060
C5	-1.216	-0.702	0.060
N6	0.000	2.537	-0.275
N7	2.197	-1.269	-0.275
N8	-2.197	-1.269	-0.275

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0962	1.4752	1.4752	1.4752	2.6572	2.6572	2.6572
H2	1.0962		2.0910	2.0910	2.0910	3.1611	3.1611	3.1611
C3	1.4752	2.0910		2.4313	2.4313	1.1822	3.4760	3.4760
C4	1.4752	2.0910	2.4313		2.4313	3.4760	1.1822	3.4760
C5	1.4752	2.0910	2.4313	2.4313		3.4760	3.4760	1.1822
N6	2.6572	3.1611	1.1822	3.4760	3.4760		4.3947	4.3947
N7	2.6572	3.1611	3.4760	1.1822	3.4760	4.3947		4.3947
N8	2.6572	3.1611	3.4760	3.4760	1.1822	4.3947	4.3947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.579	C1	C4	N7	178.578
C1	C5	N8	178.578	H2	C1	C3	107.910
H2	C1	C4	107.910	H2	C1	C5	107.910
C3	C1	C4	110.986	C3	C1	C5	110.986
C4	C1	C5	110.986

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

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

States and conformations

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