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	hartrees
Energy at 0K	-316.604363
Energy at 298.15K
HF Energy	-315.457830
Nuclear repulsion energy	213.257266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	3098	10.30
2	A₁	2397	2397	0.41
3	A₁	855	855	6.61
4	A₁	580	580	0.47
5	A₁	169	169	24.72
6	A₂	356	356	0.00
7	E	2396	2396	4.09
7	E	2396	2396	4.09
8	E	1326	1326	3.94
8	E	1326	1326	3.94
9	E	1057	1057	18.40
9	E	1057	1057	18.40
10	E	584	584	0.08
10	E	584	584	0.08
11	E	353	353	0.45
11	E	353	353	0.45
12	E	134	134	7.88
12	E	134	134	7.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.510
H2	0.000	0.000	1.602
C3	0.000	1.404	0.058
C4	1.216	-0.702	0.058
C5	-1.216	-0.702	0.058
N6	0.000	2.506	-0.272
N7	2.170	-1.253	-0.272
N8	-2.170	-1.253	-0.272

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0924	1.4750	1.4750	1.4750	2.6249	2.6249	2.6249
H2	1.0924		2.0870	2.0870	2.0870	3.1291	3.1291	3.1291
C3	1.4750	2.0870		2.4320	2.4320	1.1501	3.4465	3.4465
C4	1.4750	2.0870	2.4320		2.4320	3.4465	1.1501	3.4465
C5	1.4750	2.0870	2.4320	2.4320		3.4465	3.4465	1.1501
N6	2.6249	3.1291	1.1501	3.4465	3.4465		4.3404	4.3404
N7	2.6249	3.1291	3.4465	1.1501	3.4465	4.3404		4.3404
N8	2.6249	3.1291	3.4465	3.4465	1.1501	4.3404	4.3404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.842	C1	C4	N7	178.842
C1	C5	N8	178.842	H2	C1	C3	107.828
H2	C1	C4	107.828	H2	C1	C5	107.828
C3	C1	C4	111.063	C3	C1	C5	111.063
C4	C1	C5	111.063

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

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

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