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	hartrees
Energy at 0K	-316.326379
Energy at 298.15K
HF Energy	-315.350716
Nuclear repulsion energy	212.206760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	2929	9.96
2	A₁	2469	2298	0.13
3	A₁	863	803	10.16
4	A₁	582	542	0.08
5	A₁	169	157	22.93
6	A₂	337	314	0.00
7	E	2461	2290	1.73
7	E	2461	2290	1.73
8	E	1339	1246	5.57
8	E	1339	1246	5.57
9	E	1068	994	24.19
9	E	1068	994	24.19
10	E	577	537	0.03
10	E	577	537	0.03
11	E	344	320	0.15
11	E	344	320	0.15
12	E	131	122	7.33
12	E	131	122	7.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.506
H2	0.000	0.000	1.599
C3	0.000	1.410	0.056
C4	1.221	-0.705	0.056
C5	-1.221	-0.705	0.056
N6	0.000	2.521	-0.269
N7	2.183	-1.261	-0.269
N8	-2.183	-1.261	-0.269

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0931	1.4802	1.4802	1.4802	2.6374	2.6374	2.6374
H2	1.0931		2.0903	2.0903	2.0903	3.1374	3.1374	3.1374
C3	1.4802	2.0903		2.4423	2.4423	1.1574	3.4648	3.4648
C4	1.4802	2.0903	2.4423		2.4423	3.4648	1.1574	3.4648
C5	1.4802	2.0903	2.4423	2.4423		3.4648	3.4648	1.1574
N6	2.6374	3.1374	1.1574	3.4648	3.4648		4.3667	4.3667
N7	2.6374	3.1374	3.4648	1.1574	3.4648	4.3667		4.3667
N8	2.6374	3.1374	3.4648	3.4648	1.1574	4.3667	4.3667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.577	C1	C4	N7	178.577
C1	C5	N8	178.577	H2	C1	C3	107.700
H2	C1	C4	107.700	H2	C1	C5	107.700
C3	C1	C4	111.183	C3	C1	C5	111.183
C4	C1	C5	111.183

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

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

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