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	hartrees
Energy at 0K	-316.694142
Energy at 298.15K
HF Energy	-315.443875
Nuclear repulsion energy	212.088892

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.512
H2	0.000	0.000	1.607
C3	0.000	1.407	0.058
C4	1.219	-0.704	0.058
C5	-1.219	-0.704	0.058
N6	0.000	2.520	-0.273
N7	2.183	-1.260	-0.273
N8	-2.183	-1.260	-0.273

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0957	1.4782	1.4782	1.4782	2.6397	2.6397	2.6397
H2	1.0957		2.0926	2.0926	2.0926	3.1444	3.1444	3.1444
C3	1.4782	2.0926		2.4370	2.4370	1.1616	3.4624	3.4624
C4	1.4782	2.0926	2.4370		2.4370	3.4624	1.1616	3.4624
C5	1.4782	2.0926	2.4370	2.4370		3.4624	3.4624	1.1616
N6	2.6397	3.1444	1.1616	3.4624	3.4624		4.3656	4.3656
N7	2.6397	3.1444	3.4624	1.1616	3.4624	4.3656		4.3656
N8	2.6397	3.1444	3.4624	3.4624	1.1616	4.3656	4.3656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.696	C1	C4	N7	178.696
C1	C5	N8	178.696	H2	C1	C3	107.858
H2	C1	C4	107.858	H2	C1	C5	107.858
C3	C1	C4	111.035	C3	C1	C5	111.035
C4	C1	C5	111.035

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

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVTZ

States and conformations

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