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	hartrees
Energy at 0K	-316.549525
Energy at 298.15K
HF Energy	-315.413814
Nuclear repulsion energy	213.105809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3120	3120	8.48
2	A₁	2469	2469	0.14
3	A₁	861	861	8.74
4	A₁	585	585	0.16
5	A₁	171	171	21.55
6	A₂	362	362	0.00
7	E	2462	2462	2.64
7	E	2462	2462	2.64
8	E	1329	1329	4.42
8	E	1329	1329	4.42
9	E	1067	1067	21.45
9	E	1067	1067	21.45
10	E	591	591	0.01
10	E	591	591	0.01
11	E	360	360	0.23
11	E	360	360	0.23
12	E	136	136	7.15
12	E	136	136	7.15

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	0.059
C4	1.218	-0.703	0.059
C5	-1.218	-0.703	0.059
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		1.0957	1.4776	1.4776	1.4776	2.6267	2.6267	2.6267
H2	1.0957		2.0915	2.0915	2.0915	3.1333	3.1333	3.1333
C3	1.4776	2.0915		2.4366	2.4366	1.1492	3.4498	3.4498
C4	1.4776	2.0915	2.4366		2.4366	3.4498	1.1492	3.4498
C5	1.4776	2.0915	2.4366	2.4366		3.4498	3.4498	1.1492
N6	2.6267	3.1333	1.1492	3.4498	3.4498		4.3423	4.3423
N7	2.6267	3.1333	3.4498	1.1492	3.4498	4.3423		4.3423
N8	2.6267	3.1333	3.4498	3.4498	1.1492	4.3423	4.3423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.973	C1	C4	N7	178.973
C1	C5	N8	178.973	H2	C1	C3	107.813
H2	C1	C4	107.813	H2	C1	C5	107.813
C3	C1	C4	111.077	C3	C1	C5	111.077
C4	C1	C5	111.077

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)