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	hartrees
Energy at 0K	-187.805611
Energy at 298.15K
HF Energy	-187.016059
Nuclear repulsion energy	102.917437

Atom	x (Å)	y (Å)	z (Å)
N1	-1.457	0.721	0.000
C2	0.000	0.835	0.000
C3	0.724	-0.460	0.000
N4	1.249	-1.499	0.000
H5	-1.763	0.198	0.814
H6	-1.763	0.198	-0.814
H7	0.315	1.400	0.879
H8	0.315	1.400	-0.879

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4611	2.4801	3.4999	1.0146	1.0146	2.0912	2.0912
C2	1.4611		1.4836	2.6469	2.0436	2.0436	1.0912	1.0912
C3	2.4801	1.4836		1.1640	2.6984	2.6984	2.0969	2.0969
N4	3.4999	2.6469	1.1640		3.5517	3.5517	3.1693	3.1693
H5	1.0146	2.0436	2.6984	3.5517		1.6271	2.4019	2.9375
H6	1.0146	2.0436	2.6984	3.5517	1.6271		2.9375	2.4019
H7	2.0912	1.0912	2.0969	3.1693	2.4019	2.9375		1.7577
H8	2.0912	1.0912	2.0969	3.1693	2.9375	2.4019	1.7577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.748	N1	C2	H7	109.178
N1	C2	H8	109.178	C2	N1	H5	109.956
C2	N1	H6	109.956	C2	C3	N4	177.598
C3	C2	H7	108.093	C3	C2	H8	108.093
H5	N1	H6	106.602	H7	C2	H8	107.294

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

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 NH2CH2CN (Aminoacetonitrile)

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

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)