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	hartrees
Energy at 0K	-316.465506
Energy at 298.15K
HF Energy	-315.435872
Nuclear repulsion energy	212.701218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3096	2957	7.01
2	A₁	2364	2259	0.44
3	A₁	857	819	8.89
4	A₁	577	551	0.16
5	A₁	167	159	21.81
6	A₂	343	327	0.00
7	E	2363	2258	4.61
7	E	2363	2258	4.61
8	E	1325	1265	3.86
8	E	1325	1265	3.86
9	E	1047	1000	19.76
9	E	1047	1000	19.76
10	E	578	552	0.00
10	E	578	552	0.00
11	E	345	329	0.21
11	E	345	329	0.21
12	E	132	126	7.17
12	E	132	126	7.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.512
H2	0.000	0.000	1.607
C3	0.000	1.405	0.059
C4	1.217	-0.703	0.059
C5	-1.217	-0.703	0.059
N6	0.000	2.512	-0.274
N7	2.175	-1.256	-0.274
N8	-2.175	-1.256	-0.274

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0947	1.4764	1.4764	1.4764	2.6322	2.6322	2.6322
H2	1.0947		2.0906	2.0906	2.0906	3.1382	3.1382	3.1382
C3	1.4764	2.0906		2.4338	2.4338	1.1558	3.4533	3.4533
C4	1.4764	2.0906	2.4338		2.4338	3.4533	1.1558	3.4533
C5	1.4764	2.0906	2.4338	2.4338		3.4533	3.4533	1.1558
N6	2.6322	3.1382	1.1558	3.4533	3.4533		4.3509	4.3509
N7	2.6322	3.1382	3.4533	1.1558	3.4533	4.3509		4.3509
N8	2.6322	3.1382	3.4533	3.4533	1.1558	4.3509	4.3509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.870	C1	C4	N7	178.870
C1	C5	N8	178.870	H2	C1	C3	107.875
H2	C1	C4	107.875	H2	C1	C5	107.875
C3	C1	C4	111.019	C3	C1	C5	111.019
C4	C1	C5	111.019

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

using model chemistry: QCISD/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: QCISD/TZVP

States and conformations

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