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	hartrees
Energy at 0K	-187.551198
Energy at 298.15K	-187.556024
HF Energy	-186.948901
Nuclear repulsion energy	102.705236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3587	3359	1.97
2	A'	3158	2957	10.83
3	A'	2201	2062	4.09
4	A'	1708	1600	25.16
5	A'	1528	1431	4.81
6	A'	1400	1311	12.21
7	A'	1151	1078	13.62
8	A'	967	905	146.84
9	A'	869	814	62.05
10	A'	563	527	10.58
11	A'	205	192	12.08
12	A"	3690	3455	5.18
13	A"	3216	3011	4.41
14	A"	1422	1331	0.05
15	A"	1222	1145	0.01
16	A"	913	855	0.15
17	A"	398	373	24.30
18	A"	277	259	46.35

Atom	x (Å)	y (Å)	z (Å)
N1	-1.454	0.726	0.000
C2	0.000	0.837	0.000
C3	0.723	-0.454	0.000
N4	1.247	-1.513	0.000
H5	-1.756	0.201	0.812
H6	-1.756	0.201	-0.812
H7	0.311	1.405	0.876
H8	0.311	1.405	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4578	2.4760	3.5082	1.0137	1.0137	2.0838	2.0838
C2	1.4578		1.4795	2.6598	2.0365	2.0365	1.0895	1.0895
C3	2.4760	1.4795		1.1812	2.6896	2.6896	2.0960	2.0960
N4	3.5082	2.6598	1.1812		3.5518	3.5518	3.1868	3.1868
H5	1.0137	2.0365	2.6896	3.5518		1.6248	2.3931	2.9280
H6	1.0137	2.0365	2.6896	3.5518	1.6248		2.9280	2.3931
H7	2.0838	1.0895	2.0960	3.1868	2.3931	2.9280		1.7519
H8	2.0838	1.0895	2.0960	3.1868	2.9280	2.3931	1.7519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.908	N1	C2	H7	108.922
N1	C2	H8	108.922	C2	N1	H5	109.672
C2	N1	H6	109.672	C2	C3	N4	177.111
C3	C2	H7	108.395	C3	C2	H8	108.395
H5	N1	H6	106.539	H7	C2	H8	107.017

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)