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	hartrees
Energy at 0K	-187.582910
Energy at 298.15K	-187.587789
HF Energy	-186.953006
Nuclear repulsion energy	103.219178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3620	3620	1.30
2	A'	3175	3175	11.01
3	A'	2444	2444	0.11
4	A'	1729	1729	25.71
5	A'	1540	1540	4.65
6	A'	1418	1418	13.74
7	A'	1160	1160	12.89
8	A'	982	982	152.87
9	A'	879	879	58.76
10	A'	578	578	10.43
11	A'	216	216	13.58
12	A"	3711	3711	3.48
13	A"	3226	3226	5.23
14	A"	1434	1434	0.06
15	A"	1235	1235	0.00
16	A"	920	920	0.21
17	A"	405	405	15.80
18	A"	284	284	54.97

Atom	x (Å)	y (Å)	z (Å)
N1	-1.452	0.725	0.000
C2	0.000	0.831	0.000
C3	0.720	-0.464	0.000
N4	1.246	-1.497	0.000
H5	-1.758	0.205	0.811
H6	-1.758	0.205	-0.811
H7	0.316	1.394	0.874
H8	0.316	1.394	-0.874

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4558	2.4768	3.4955	1.0107	1.0107	2.0829	2.0829
C2	1.4558		1.4821	2.6403	2.0345	2.0345	1.0871	1.0871
C3	2.4768	1.4821		1.1587	2.6923	2.6923	2.0933	2.0933
N4	3.4955	2.6403	1.1587		3.5469	3.5469	3.1603	3.1603
H5	1.0107	2.0345	2.6923	3.5469		1.6218	2.3916	2.9250
H6	1.0107	2.0345	2.6923	3.5469	1.6218		2.9250	2.3916
H7	2.0829	1.0871	2.0933	3.1603	2.3916	2.9250		1.7486
H8	2.0829	1.0871	2.0933	3.1603	2.9250	2.3916	1.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.926	N1	C2	H7	109.129
N1	C2	H8	109.129	C2	N1	H5	109.831
C2	N1	H6	109.831	C2	C3	N4	177.905
C3	C2	H7	108.151	C3	C2	H8	108.151
H5	N1	H6	106.708	H7	C2	H8	107.072

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)