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	hartrees
Energy at 0K	-316.680052
Energy at 298.15K
HF Energy	-315.452776
Nuclear repulsion energy	212.202493

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.515
H2	0.000	0.000	1.609
C3	0.000	1.407	0.060
C4	1.218	-0.703	0.060
C5	-1.218	-0.703	0.060
N6	0.000	2.518	-0.275
N7	2.181	-1.259	-0.275
N8	-2.181	-1.259	-0.275

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0949	1.4785	1.4785	1.4785	2.6387	2.6387	2.6387
H2	1.0949		2.0930	2.0929	2.0929	3.1448	3.1448	3.1448
C3	1.4785	2.0930		2.4366	2.4366	1.1604	3.4602	3.4602
C4	1.4785	2.0929	2.4366		2.4366	3.4602	1.1604	3.4602
C5	1.4785	2.0929	2.4366	2.4366		3.4602	3.4602	1.1604
N6	2.6387	3.1448	1.1604	3.4602	3.4602		4.3611	4.3611
N7	2.6387	3.1448	3.4602	1.1604	3.4602	4.3611		4.3611
N8	2.6387	3.1448	3.4602	3.4602	1.1604	4.3611	4.3611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.841	C1	C4	N7	178.841
C1	C5	N8	178.841	H2	C1	C3	107.916
H2	C1	C4	107.916	H2	C1	C5	107.916
C3	C1	C4	110.980	C3	C1	C5	110.980
C4	C1	C5	110.980

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

using model chemistry: CCSD(T)/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: CCSD(T)/Def2TZVPP

States and conformations

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