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	hartrees
Energy at 0K	-316.738470
Energy at 298.15K
HF Energy	-315.460464
Nuclear repulsion energy	213.998076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3120	3120	12.97
2	A₁	2478	2478	0.13
3	A₁	858	858	6.26
4	A₁	584	584	0.53
5	A₁	171	171	25.30
6	A₂	359	359	0.00
7	E	2470	2470	1.54
7	E	2470	2470	1.54
8	E	1331	1331	3.90
8	E	1331	1331	3.90
9	E	1067	1067	19.10
9	E	1067	1067	19.10
10	E	588	588	0.09
10	E	588	588	0.09
11	E	358	358	0.48
11	E	358	358	0.48
12	E	135	135	8.02
12	E	135	135	8.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.505
H2	0.000	0.000	1.594
C3	0.000	1.403	0.057
C4	1.215	-0.701	0.057
C5	-1.215	-0.701	0.057
N6	0.000	2.498	-0.269
N7	2.163	-1.249	-0.269
N8	-2.163	-1.249	-0.269

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0888	1.4725	1.4725	1.4725	2.6153	2.6153	2.6153
H2	1.0888		2.0809	2.0809	2.0809	3.1165	3.1165	3.1165
C3	1.4725	2.0809		2.4294	2.4294	1.1430	3.4376	3.4376
C4	1.4725	2.0809	2.4294		2.4294	3.4376	1.1430	3.4376
C5	1.4725	2.0809	2.4294	2.4294		3.4376	3.4376	1.1430
N6	2.6153	3.1165	1.1430	3.4376	3.4376		4.3266	4.3266
N7	2.6153	3.1165	3.4376	1.1430	3.4376	4.3266		4.3266
N8	2.6153	3.1165	3.4376	3.4376	1.1430	4.3266	4.3266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.867	C1	C4	N7	178.867
C1	C5	N8	178.867	H2	C1	C3	107.725
H2	C1	C4	107.725	H2	C1	C5	107.725
C3	C1	C4	111.160	C3	C1	C5	111.160
C4	C1	C5	111.160

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

using model chemistry: MP3=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

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