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	hartrees
Energy at 0K	-315.904103
Energy at 298.15K
HF Energy	-315.176250
Nuclear repulsion energy	208.899339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3001	2892	2.95
2	A₁	2258	2176	0.31
3	A₁	834	804	13.51
4	A₁	560	539	0.00
5	A₁	157	152	18.84
6	A₂	308	297	0.00
7	E	2258	2176	4.44
7	E	2258	2176	4.44
8	E	1333	1285	0.49
8	E	1333	1285	0.49
9	E	1011	974	25.62
9	E	1011	974	25.62
10	E	542	522	0.31
10	E	542	522	0.31
11	E	313	302	0.01
11	E	313	302	0.01
12	E	124	120	6.25
12	E	124	120	6.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.512
H2	0.000	0.000	1.620
C3	0.000	1.426	0.059
C4	1.235	-0.713	0.059
C5	-1.235	-0.713	0.059
N6	0.000	2.561	-0.274
N7	2.218	-1.281	-0.274
N8	-2.218	-1.281	-0.274

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1078	1.4959	1.4959	1.4959	2.6793	2.6793	2.6793
H2	1.1078		2.1136	2.1136	2.1136	3.1856	3.1856	3.1856
C3	1.4959	2.1136		2.4696	2.4696	1.1836	3.5152	3.5152
C4	1.4959	2.1136	2.4696		2.4696	3.5152	1.1836	3.5152
C5	1.4959	2.1136	2.4696	2.4696		3.5152	3.5152	1.1836
N6	2.6793	3.1856	1.1836	3.5152	3.5152		4.4363	4.4363
N7	2.6793	3.1856	3.5152	1.1836	3.5152	4.4363		4.4363
N8	2.6793	3.1856	3.5152	3.5152	1.1836	4.4363	4.4363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.778	C1	C4	N7	178.778
C1	C5	N8	178.778	H2	C1	C3	107.608
H2	C1	C4	107.608	H2	C1	C5	107.608
C3	C1	C4	111.269	C3	C1	C5	111.269
C4	C1	C5	111.269

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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