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	hartrees
Energy at 0K	-316.836227
Energy at 298.15K
HF Energy	-315.440539
Nuclear repulsion energy	212.757010

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.506
H2	0.000	0.000	1.600
C3	0.000	1.395	0.060
C4	1.208	-0.697	0.060
C5	-1.208	-0.697	0.060
N6	0.000	2.514	-0.272
N7	2.177	-1.257	-0.272
N8	-2.177	-1.257	-0.272

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0942	1.4644	1.4644	1.4644	2.6311	2.6311	2.6311
H2	1.0942		2.0778	2.0778	2.0778	3.1340	3.1340	3.1340
C3	1.4644	2.0778		2.4160	2.4160	1.1669	3.4467	3.4467
C4	1.4644	2.0778	2.4160		2.4160	3.4467	1.1669	3.4467
C5	1.4644	2.0778	2.4160	2.4160		3.4467	3.4467	1.1669
N6	2.6311	3.1340	1.1669	3.4467	3.4467		4.3536	4.3536
N7	2.6311	3.1340	3.4467	1.1669	3.4467	4.3536		4.3536
N8	2.6311	3.1340	3.4467	3.4467	1.1669	4.3536	4.3536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.794	C1	C4	N7	178.794
C1	C5	N8	178.794	H2	C1	C3	107.725
H2	C1	C4	107.725	H2	C1	C5	107.725
C3	C1	C4	111.159	C3	C1	C5	111.159
C4	C1	C5	111.159

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

using model chemistry: MP4=FULL/aug-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: MP4=FULL/aug-cc-pVTZ

States and conformations

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