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	hartrees
Energy at 0K
Energy at 298.15K	0.165345
HF Energy	0.165345
Nuclear repulsion energy	128.102100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2630	2794	174.64
2	A₁	2381	2530	21.65
3	A₁	937	996	0.83
4	A₁	658	699	0.25
5	A₁	192	204	12.54
6	A₂	450	479	0.00
7	E	2368	2515	16.85
7	E	2368	2515	16.85
8	E	1259	1337	0.89
8	E	1259	1337	0.89
9	E	1088	1156	31.98
9	E	1088	1156	31.98
10	E	628	667	0.01
10	E	628	667	0.01
11	E	443	471	0.01
11	E	443	471	0.01
12	E	148	157	4.50
12	E	148	157	4.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.527
H2	0.000	0.000	1.673
C3	0.000	1.394	0.064
C4	1.207	-0.697	0.064
C5	-1.207	-0.697	0.064
N6	0.000	2.492	-0.285
N7	2.158	-1.246	-0.285
N8	-2.158	-1.246	-0.285

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1459	1.4688	1.4688	1.4688	2.6214	2.6214	2.6214
H2	1.1459		2.1290	2.1290	2.1290	3.1695	3.1695	3.1695
C3	1.4688	2.1290		2.4141	2.4141	1.1526	3.4278	3.4278
C4	1.4688	2.1290	2.4141		2.4141	3.4278	1.1526	3.4278
C5	1.4688	2.1290	2.4141	2.4141		3.4278	3.4278	1.1526
N6	2.6214	3.1695	1.1526	3.4278	3.4278		4.3169	4.3169
N7	2.6214	3.1695	3.4278	1.1526	3.4278	4.3169		4.3169
N8	2.6214	3.1695	3.4278	3.4278	1.1526	4.3169	4.3169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.218	C1	C4	N7	179.218
C1	C5	N8	179.218	H2	C1	C3	108.394
H2	C1	C4	108.394	H2	C1	C5	108.394
C3	C1	C4	110.527	C3	C1	C5	110.527
C4	C1	C5	110.527

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

using model chemistry: PM6

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: PM6

States and conformations

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