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	hartrees
Energy at 0K	-187.674678
Energy at 298.15K	-187.679576
HF Energy	-186.985296
Nuclear repulsion energy	103.254743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3586	3586	0.67
2	A'	3124	3124	10.18
3	A'	2425	2425	0.16
4	A'	1764	1764	35.82
5	A'	1517	1517	8.99
6	A'	1406	1406	10.65
7	A'	1161	1161	15.73
8	A'	992	992	186.43
9	A'	882	882	38.63
10	A'	584	584	11.05
11	A'	222	222	13.44
12	A"	3668	3668	3.03
13	A"	3169	3169	4.32
14	A"	1436	1436	0.08
15	A"	1238	1238	0.02
16	A"	915	915	0.08
17	A"	405	405	15.68
18	A"	284	284	56.51

Atom	x (Å)	y (Å)	z (Å)
N1	-1.452	0.727	0.000
C2	0.000	0.827	0.000
C3	0.722	-0.469	0.000
N4	1.246	-1.494	0.000
H5	-1.765	0.217	0.815
H6	-1.765	0.217	-0.815
H7	0.320	1.394	0.877
H8	0.320	1.394	-0.877

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4557	2.4809	3.4953	1.0106	1.0106	2.0868	2.0868
C2	1.4557		1.4833	2.6353	2.0372	2.0372	1.0920	1.0920
C3	2.4809	1.4833		1.1524	2.7046	2.7046	2.0975	2.0975
N4	3.4953	2.6353	1.1524		3.5579	3.5579	3.1576	3.1576
H5	1.0106	2.0372	2.7046	3.5579		1.6296	2.3946	2.9313
H6	1.0106	2.0372	2.7046	3.5579	1.6296		2.9313	2.3946
H7	2.0868	1.0920	2.0975	3.1576	2.3946	2.9313		1.7539
H8	2.0868	1.0920	2.0975	3.1576	2.9313	2.3946	1.7539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.147	N1	C2	H7	109.157
N1	C2	H8	109.157	C2	N1	H5	110.066
C2	N1	H6	110.066	C2	C3	N4	177.982
C3	C2	H7	108.105	C3	C2	H8	108.105
H5	N1	H6	107.457	H7	C2	H8	106.853

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3=FULL/6-311G*

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: MP3=FULL/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)