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	hartrees
Energy at 0K	-316.322698
Energy at 298.15K
HF Energy	-315.340904
Nuclear repulsion energy	211.856809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	2937	5.61
2	A₁	2394	2245	0.39
3	A₁	863	809	7.89
4	A₁	579	543	0.24
5	A₁	167	156	22.05
6	A₂	343	322	0.00
7	E	2394	2245	5.51
7	E	2394	2245	5.51
8	E	1341	1257	3.75
8	E	1341	1257	3.75
9	E	1062	995	20.24
9	E	1062	995	20.24
10	E	573	537	0.00
10	E	573	537	0.00
11	E	345	324	0.30
11	E	345	324	0.30
12	E	131	123	7.27
12	E	131	123	7.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.514
H2	0.000	0.000	1.608
C3	0.000	1.409	0.060
C4	1.220	-0.704	0.060
C5	-1.220	-0.704	0.060
N6	0.000	2.522	-0.275
N7	2.184	-1.261	-0.275
N8	-2.184	-1.261	-0.275

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0942	1.4802	1.4802	1.4802	2.6430	2.6430	2.6430
H2	1.0942		2.0934	2.0934	2.0934	3.1480	3.1480	3.1480
C3	1.4802	2.0934		2.4401	2.4401	1.1629	3.4659	3.4659
C4	1.4802	2.0934	2.4401		2.4401	3.4660	1.1629	3.4659
C5	1.4802	2.0934	2.4401	2.4401		3.4660	3.4659	1.1629
N6	2.6430	3.1480	1.1629	3.4660	3.4660		4.3689	4.3689
N7	2.6430	3.1480	3.4659	1.1629	3.4659	4.3689		4.3689
N8	2.6430	3.1480	3.4659	3.4659	1.1629	4.3689	4.3689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.869	C1	C4	N7	178.869
C1	C5	N8	178.869	H2	C1	C3	107.873
H2	C1	C4	107.873	H2	C1	C5	107.873
C3	C1	C4	111.021	C3	C1	C5	111.021
C4	C1	C5	111.021

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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