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	hartrees
Energy at 0K	-316.346796
Energy at 298.15K
HF Energy	-315.362540
Nuclear repulsion energy	210.695337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3096	2933	5.83
2	A₁	2354	2230	0.46
3	A₁	844	799	8.27
4	A₁	571	541	0.03
5	A₁	165	156	19.05
6	A₂	345	326	0.00
7	E	2353	2229	5.95
7	E	2353	2229	5.95
8	E	1306	1237	4.55
8	E	1306	1237	4.55
9	E	1047	992	18.77
9	E	1047	992	18.77
10	E	570	540	0.02
10	E	570	540	0.02
11	E	343	325	0.15
11	E	343	325	0.15
12	E	131	124	6.32
12	E	131	124	6.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.517
H2	0.000	0.000	1.623
C3	0.000	1.417	0.061
C4	1.227	-0.708	0.061
C5	-1.227	-0.708	0.061
N6	0.000	2.536	-0.277
N7	2.196	-1.268	-0.277
N8	-2.196	-1.268	-0.277

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1062	1.4883	1.4883	1.4883	2.6571	2.6571	2.6571
H2	1.1062		2.1090	2.1090	2.1090	3.1685	3.1685	3.1685
C3	1.4883	2.1090		2.4538	2.4538	1.1689	3.4849	3.4849
C4	1.4883	2.1090	2.4538		2.4538	3.4849	1.1689	3.4849
C5	1.4883	2.1090	2.4538	2.4538		3.4849	3.4849	1.1689
N6	2.6571	3.1685	1.1689	3.4849	3.4849		4.3923	4.3923
N7	2.6571	3.1685	3.4849	1.1689	3.4849	4.3923		4.3923
N8	2.6571	3.1685	3.4849	3.4849	1.1689	4.3923	4.3923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.935	C1	C4	N7	178.935
C1	C5	N8	178.935	H2	C1	C3	107.844
H2	C1	C4	107.844	H2	C1	C5	107.844
C3	C1	C4	111.048	C3	C1	C5	111.048
C4	C1	C5	111.048

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

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

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