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	hartrees
Energy at 0K	-316.364828
Energy at 298.15K
HF Energy	-315.450888
Nuclear repulsion energy	215.123816

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.503
H2	0.000	0.000	1.587
C3	0.000	1.397	0.056
C4	1.210	-0.698	0.056
C5	-1.210	-0.698	0.056
N6	0.000	2.485	-0.267
N7	2.152	-1.243	-0.267
N8	-2.152	-1.243	-0.267

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0839	1.4670	1.4670	1.4670	2.6017	2.6017	2.6017
H2	1.0839		2.0730	2.0730	2.0730	3.1005	3.1005	3.1005
C3	1.4670	2.0730		2.4197	2.4197	1.1348	3.4209	3.4209
C4	1.4670	2.0730	2.4197		2.4197	3.4209	1.1348	3.4209
C5	1.4670	2.0730	2.4197	2.4197		3.4209	3.4209	1.1348
N6	2.6017	3.1005	1.1348	3.4209	3.4209		4.3042	4.3042
N7	2.6017	3.1005	3.4209	1.1348	3.4209	4.3042		4.3042
N8	2.6017	3.1005	3.4209	3.4209	1.1348	4.3042	4.3042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.738	C1	C4	N7	178.738
C1	C5	N8	178.738	H2	C1	C3	107.770
H2	C1	C4	107.770	H2	C1	C5	107.770
C3	C1	C4	111.118	C3	C1	C5	111.118
C4	C1	C5	111.118

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

using model chemistry: CISD/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: CISD/cc-pVTZ

States and conformations

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