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	hartrees
Energy at 0K	-316.542591
Energy at 298.15K
HF Energy	-315.412441
Nuclear repulsion energy	213.111133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3108	3108	9.22
2	A₁	2469	2469	0.12
3	A₁	863	863	8.55
4	A₁	586	586	0.19
5	A₁	171	171	21.67
6	A₂	362	362	0.00
7	E	2462	2462	2.49
7	E	2462	2462	2.49
8	E	1342	1342	2.55
8	E	1342	1342	2.55
9	E	1069	1069	23.50
9	E	1069	1069	23.50
10	E	591	591	0.01
10	E	591	591	0.01
11	E	361	361	0.19
11	E	361	361	0.19
12	E	136	136	7.24
12	E	136	136	7.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.511
H2	0.000	0.000	1.607
C3	0.000	1.407	0.058
C4	1.218	-0.703	0.058
C5	-1.218	-0.703	0.058
N6	0.000	2.507	-0.273
N7	2.171	-1.254	-0.273
N8	-2.171	-1.254	-0.273

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0965	1.4775	1.4775	1.4775	2.6265	2.6265	2.6265
H2	1.0965		2.0920	2.0920	2.0920	3.1334	3.1334	3.1334
C3	1.4775	2.0920		2.4364	2.4364	1.1492	3.4497	3.4497
C4	1.4775	2.0920	2.4364		2.4364	3.4497	1.1492	3.4497
C5	1.4775	2.0920	2.4364	2.4364		3.4497	3.4497	1.1492
N6	2.6265	3.1334	1.1492	3.4497	3.4497		4.3424	4.3424
N7	2.6265	3.1334	3.4497	1.1492	3.4497	4.3424		4.3424
N8	2.6265	3.1334	3.4497	3.4497	1.1492	4.3424	4.3424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.926	C1	C4	N7	178.926
C1	C5	N8	178.926	H2	C1	C3	107.815
H2	C1	C4	107.815	H2	C1	C5	107.815
C3	C1	C4	111.076	C3	C1	C5	111.076
C4	C1	C5	111.076

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

using model chemistry: MP3=FULL/6-311G*

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/6-311G*

States and conformations

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