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	hartrees
Energy at 0K	-316.338113
Energy at 298.15K
HF Energy	-315.339037
Nuclear repulsion energy	211.437472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3125	2942	5.43
2	A₁	2360	2222	0.33
3	A₁	856	806	7.87
4	A₁	574	540	0.20
5	A₁	166	156	21.75
6	A₂	340	320	0.00
7	E	2360	2221	4.77
7	E	2360	2221	4.77
8	E	1334	1256	3.45
8	E	1334	1256	3.45
9	E	1051	990	19.37
9	E	1051	990	19.37
10	E	568	535	0.00
10	E	568	535	0.00
11	E	343	323	0.27
11	E	343	323	0.27
12	E	130	123	7.13
12	E	130	123	7.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.515
H2	0.000	0.000	1.610
C3	0.000	1.410	0.060
C4	1.221	-0.705	0.060
C5	-1.221	-0.705	0.060
N6	0.000	2.528	-0.275
N7	2.189	-1.264	-0.275
N8	-2.189	-1.264	-0.275

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0945	1.4819	1.4819	1.4819	2.6484	2.6484	2.6484
H2	1.0945		2.0952	2.0952	2.0952	3.1532	3.1532	3.1532
C3	1.4819	2.0952		2.4429	2.4429	1.1666	3.4722	3.4722
C4	1.4819	2.0952	2.4429		2.4429	3.4722	1.1666	3.4722
C5	1.4819	2.0952	2.4429	2.4429		3.4722	3.4722	1.1666
N6	2.6484	3.1532	1.1666	3.4722	3.4722		4.3780	4.3780
N7	2.6484	3.1532	3.4722	1.1666	3.4722	4.3780		4.3780
N8	2.6484	3.1532	3.4722	3.4722	1.1666	4.3780	4.3780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.854	C1	C4	N7	178.854
C1	C5	N8	178.854	H2	C1	C3	107.874
H2	C1	C4	107.874	H2	C1	C5	107.874
C3	C1	C4	111.020	C3	C1	C5	111.020
C4	C1	C5	111.020

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

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

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