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	hartrees
Energy at 0K	-316.420659
Energy at 298.15K
HF Energy	-315.351827
Nuclear repulsion energy	209.625915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3067	2960
2	A₁	2155	2079
3	A₁	826	798
4	A₁	556	537
5	A₁	157	152
6	A₂	338	326
7	E	2172	2096
7	E	2172	2096
8	E	1280	1235
8	E	1280	1235
9	E	1021	985
9	E	1021	985
10	E	552	533
10	E	552	533
11	E	332	321
11	E	332	321
12	E	127	122
12	E	126	122

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.525
H2	0.000	0.000	1.634
C3	0.000	1.414	0.064
C4	1.224	-0.707	0.064
C5	-1.224	-0.707	0.064
N6	0.000	2.547	-0.283
N7	2.206	-1.274	-0.283
N8	-2.206	-1.274	-0.283

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1087	1.4868	1.4868	1.4868	2.6723	2.6723	2.6723
H2	1.1087		2.1122	2.1122	2.1122	3.1879	3.1879	3.1879
C3	1.4868	2.1122		2.4485	2.4485	1.1856	3.4941	3.4941
C4	1.4868	2.1122	2.4485		2.4485	3.4941	1.1856	3.4941
C5	1.4868	2.1122	2.4485	2.4485		3.4941	3.4941	1.1856
N6	2.6723	3.1879	1.1856	3.4941	3.4941		4.4119	4.4119
N7	2.6723	3.1879	3.4941	1.1856	3.4941	4.4119		4.4119
N8	2.6723	3.1879	3.4941	3.4941	1.1856	4.4119	4.4119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.987	C1	C4	N7	178.987
C1	C5	N8	178.987	H2	C1	C3	108.051
H2	C1	C4	108.051	H2	C1	C5	108.051
C3	C1	C4	110.854	C3	C1	C5	110.854
C4	C1	C5	110.854

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

using model chemistry: MP4=FULL/cc-pVDZ

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: MP4=FULL/cc-pVDZ

States and conformations

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