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	hartrees
Energy at 0K	-316.561939
Energy at 298.15K
HF Energy	-315.440248
Nuclear repulsion energy	213.804372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3123	2916	9.54
2	A₁	2486	2321	0.17
3	A₁	870	812	8.64
4	A₁	589	550	0.24
5	A₁	169	158	22.54
6	A₂	350	327	0.00
7	E	2478	2314	2.09
7	E	2478	2314	2.09
8	E	1334	1246	4.31
8	E	1334	1246	4.31
9	E	1068	997	21.67
9	E	1068	997	21.67
10	E	591	552	0.01
10	E	591	552	0.01
11	E	353	330	0.26
11	E	353	330	0.26
12	E	134	125	7.39
12	E	134	125	7.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.509
H2	0.000	0.000	1.601
C3	0.000	1.402	0.058
C4	1.214	-0.701	0.058
C5	-1.214	-0.701	0.058
N6	0.000	2.499	-0.272
N7	2.164	-1.249	-0.272
N8	-2.164	-1.249	-0.272

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0920	1.4728	1.4728	1.4728	2.6181	2.6181	2.6181
H2	1.0920		2.0845	2.0845	2.0845	3.1227	3.1227	3.1227
C3	1.4728	2.0845		2.4288	2.4288	1.1454	3.4387	3.4387
C4	1.4728	2.0845	2.4288		2.4288	3.4387	1.1454	3.4387
C5	1.4728	2.0845	2.4288	2.4288		3.4387	3.4387	1.1454
N6	2.6181	3.1227	1.1454	3.4387	3.4387		4.3284	4.3284
N7	2.6181	3.1227	3.4387	1.1454	3.4387	4.3284		4.3284
N8	2.6181	3.1227	3.4387	3.4387	1.1454	4.3284	4.3284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.949	C1	C4	N7	178.949
C1	C5	N8	178.949	H2	C1	C3	107.806
H2	C1	C4	107.806	H2	C1	C5	107.806
C3	C1	C4	111.084	C3	C1	C5	111.084
C4	C1	C5	111.084

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

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

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