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	hartrees
Energy at 0K	-316.336055
Energy at 298.15K
HF Energy	-315.363732
Nuclear repulsion energy	210.946550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3100	2965	5.73
2	A₁	2372	2270	0.44
3	A₁	848	812	8.18
4	A₁	574	549	0.06
5	A₁	166	159	19.39
6	A₂	349	334	0.00
7	E	2373	2270	5.85
7	E	2373	2270	5.85
8	E	1310	1253	4.76
8	E	1310	1253	4.76
9	E	1053	1008	19.17
9	E	1053	1008	19.17
10	E	574	549	0.00
10	E	574	549	0.00
11	E	346	331	0.17
11	E	346	331	0.17
12	E	132	126	6.46
12	E	132	126	6.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.516
H2	0.000	0.000	1.622
C3	0.000	1.416	0.061
C4	1.226	-0.708	0.061
C5	-1.226	-0.708	0.061
N6	0.000	2.533	-0.277
N7	2.193	-1.266	-0.277
N8	-2.193	-1.266	-0.277

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1062	1.4873	1.4873	1.4873	2.6539	2.6539	2.6539
H2	1.1062		2.1081	2.1081	2.1081	3.1656	3.1656	3.1656
C3	1.4873	2.1081		2.4521	2.4521	1.1667	3.4811	3.4811
C4	1.4873	2.1081	2.4521		2.4521	3.4811	1.1667	3.4811
C5	1.4873	2.1081	2.4521	2.4521		3.4811	3.4811	1.1667
N6	2.6539	3.1656	1.1667	3.4811	3.4811		4.3867	4.3867
N7	2.6539	3.1656	3.4811	1.1667	3.4811	4.3867		4.3867
N8	2.6539	3.1656	3.4811	3.4811	1.1667	4.3867	4.3867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.952	C1	C4	N7	178.952
C1	C5	N8	178.952	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: CCD/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: CCD/cc-pVDZ

States and conformations

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