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	hartrees
Energy at 0K	-187.646816
Energy at 298.15K	-187.651551
HF Energy	-186.968761
Nuclear repulsion energy	101.735093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3477	3396
2	A'	3086	3015
3	A'	2187	2137
4	A'	1724	1685
5	A'	1518	1483
6	A'	1386	1354
7	A'	1143	1117
8	A'	969	947
9	A'	863	843
10	A'	553	540
11	A'	200	196
12	A"	3570	3487
13	A"	3136	3063
14	A"	1414	1381
15	A"	1214	1186
16	A"	907	886
17	A"	392	383
18	A"	272	265

Atom	x (Å)	y (Å)	z (Å)
N1	-1.468	0.740	0.000
C2	0.000	0.843	0.000
C3	0.728	-0.465	0.000
N4	1.260	-1.526	0.000
H5	-1.775	0.206	0.817
H6	-1.775	0.206	-0.817
H7	0.320	1.414	0.889
H8	0.320	1.414	-0.889

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4715	2.5042	3.5464	1.0233	1.0233	2.1070	2.1070
C2	1.4715		1.4972	2.6840	2.0555	2.0555	1.1036	1.1036
C3	2.5042	1.4972		1.1874	2.7169	2.7169	2.1183	2.1183
N4	3.5464	2.6840	1.1874		3.5892	3.5892	3.2124	3.2124
H5	1.0233	2.0555	2.7169	3.5892		1.6348	2.4187	2.9593
H6	1.0233	2.0555	2.7169	3.5892	1.6348		2.9593	2.4187
H7	2.1070	1.1036	2.1183	3.2124	2.4187	2.9593		1.7783
H8	2.1070	1.1036	2.1183	3.2124	2.9593	2.4187	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.029	N1	C2	H7	108.980
N1	C2	H8	108.980	C2	N1	H5	109.646
C2	N1	H6	109.646	C2	C3	N4	177.579
C3	C2	H7	108.116	C3	C2	H8	108.116
H5	N1	H6	106.037	H7	C2	H8	107.356

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)