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	hartrees
Energy at 0K	-187.770873
Energy at 298.15K
HF Energy	-187.017592
Nuclear repulsion energy	103.199865

Atom	x (Å)	y (Å)	z (Å)
N1	-1.452	0.726	0.000
C2	0.000	0.829	0.000
C3	0.719	-0.467	0.000
N4	1.250	-1.495	0.000
H5	-1.769	0.213	0.812
H6	-1.769	0.213	-0.812
H7	0.320	1.391	0.877
H8	0.320	1.391	-0.877

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4558	2.4772	3.4971	1.0118	1.0118	2.0863	2.0863
C2	1.4558		1.4819	2.6382	2.0418	2.0418	1.0895	1.0895
C3	2.4772	1.4819		1.1566	2.7041	2.7041	2.0928	2.0928
N4	3.4971	2.6382	1.1566		3.5620	3.5620	3.1559	3.1559
H5	1.0118	2.0418	2.7041	3.5620		1.6250	2.3996	2.9337
H6	1.0118	2.0418	2.7041	3.5620	1.6250		2.9337	2.3996
H7	2.0863	1.0895	2.0928	3.1559	2.3996	2.9337		1.7531
H8	2.0863	1.0895	2.0928	3.1559	2.9337	2.3996	1.7531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.962	N1	C2	H7	109.258
N1	C2	H8	109.258	C2	N1	H5	110.382
C2	N1	H6	110.382	C2	C3	N4	178.288
C3	C2	H7	107.974	C3	C2	H8	107.974
H5	N1	H6	106.838	H7	C2	H8	107.130

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD/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/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)