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	hartrees
Energy at 0K	-316.751302
Energy at 298.15K
HF Energy	-315.457934
Nuclear repulsion energy	213.395688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3097	3097	10.43
2	A₁	2388	2388	0.42
3	A₁	852	852	6.49
4	A₁	578	578	0.42
5	A₁	169	169	24.55
6	A₂	355	355	0.00
7	E	2386	2386	4.09
7	E	2386	2386	4.09
8	E	1328	1328	3.59
8	E	1328	1328	3.59
9	E	1055	1055	17.60
9	E	1055	1055	17.60
10	E	580	580	0.05
10	E	580	580	0.05
11	E	354	354	0.42
11	E	354	354	0.42
12	E	134	134	7.81
12	E	134	134	7.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.509
H2	0.000	0.000	1.599
C3	0.000	1.403	0.058
C4	1.215	-0.701	0.058
C5	-1.215	-0.701	0.058
N6	0.000	2.505	-0.271
N7	2.169	-1.252	-0.271
N8	-2.169	-1.252	-0.271

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0905	1.4735	1.4735	1.4735	2.6232	2.6232	2.6232
H2	1.0905		2.0841	2.0841	2.0841	3.1260	3.1260	3.1260
C3	1.4735	2.0841		2.4297	2.4297	1.1499	3.4442	3.4442
C4	1.4735	2.0841	2.4297		2.4297	3.4442	1.1499	3.4442
C5	1.4735	2.0841	2.4297	2.4297		3.4442	3.4442	1.1499
N6	2.6232	3.1260	1.1499	3.4442	3.4442		4.3381	4.3381
N7	2.6232	3.1260	3.4442	1.1499	3.4442	4.3381		4.3381
N8	2.6232	3.1260	3.4442	3.4442	1.1499	4.3381	4.3381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.814	C1	C4	N7	178.814
C1	C5	N8	178.814	H2	C1	C3	107.816
H2	C1	C4	107.816	H2	C1	C5	107.816
C3	C1	C4	111.075	C3	C1	C5	111.075
C4	C1	C5	111.075

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

using model chemistry: CCSD=FULL/Def2TZVPP

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: CCSD=FULL/Def2TZVPP

States and conformations

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