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	hartrees
Energy at 0K	-316.611023
Energy at 298.15K
HF Energy	-315.444622
Nuclear repulsion energy	212.816089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	2953	9.15
2	A₁	2361	2256	0.32
3	A₁	848	810	6.97
4	A₁	574	549	0.31
5	A₁	167	159	23.43
6	A₂	350	334	0.00
7	E	2360	2255	3.70
7	E	2360	2255	3.70
8	E	1319	1260	3.49
8	E	1319	1260	3.49
9	E	1046	1000	17.47
9	E	1046	1000	17.47
10	E	579	553	0.02
10	E	579	553	0.02
11	E	348	333	0.35
11	E	348	333	0.35
12	E	133	127	7.51
12	E	133	127	7.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.510
H2	0.000	0.000	1.603
C3	0.000	1.405	0.058
C4	1.217	-0.703	0.058
C5	-1.217	-0.703	0.058
N6	0.000	2.511	-0.272
N7	2.175	-1.256	-0.272
N8	-2.175	-1.256	-0.272

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0926	1.4763	1.4763	1.4763	2.6305	2.6305	2.6305
H2	1.0926		2.0883	2.0883	2.0883	3.1343	3.1343	3.1343
C3	1.4763	2.0883		2.4343	2.4343	1.1543	3.4527	3.4527
C4	1.4763	2.0883	2.4343		2.4343	3.4527	1.1543	3.4527
C5	1.4763	2.0883	2.4343	2.4343		3.4527	3.4527	1.1543
N6	2.6305	3.1343	1.1543	3.4527	3.4527		4.3498	4.3498
N7	2.6305	3.1343	3.4527	1.1543	3.4527	4.3498		4.3498
N8	2.6305	3.1343	3.4527	3.4527	1.1543	4.3498	4.3498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.825	C1	C4	N7	178.825
C1	C5	N8	178.825	H2	C1	C3	107.827
H2	C1	C4	107.827	H2	C1	C5	107.827
C3	C1	C4	111.064	C3	C1	C5	111.064
C4	C1	C5	111.064

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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