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	hartrees
Energy at 0K	-187.835919
Energy at 298.15K	-187.840786
HF Energy	-187.019185
Nuclear repulsion energy	103.958605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3594	3594	5.21
2	A'	3135	3135	7.71
3	A'	2444	2444	1.32
4	A'	1699	1699	25.04
5	A'	1514	1514	5.90
6	A'	1398	1398	12.32
7	A'	1146	1146	12.86
8	A'	968	968	95.80
9	A'	865	865	77.05
10	A'	586	586	8.53
11	A'	222	222	14.23
12	A"	3661	3661	11.69
13	A"	3164	3164	1.58
14	A"	1423	1423	0.02
15	A"	1227	1227	0.04
16	A"	912	912	0.05
17	A"	394	394	4.13
18	A"	265	265	55.40

Atom	x (Å)	y (Å)	z (Å)
N1	-1.445	0.713	0.000
C2	0.000	0.821	0.000
C3	0.718	-0.460	0.000
N4	1.243	-1.477	0.000
H5	-1.760	0.204	0.810
H6	-1.760	0.204	-0.810
H7	0.313	1.385	0.872
H8	0.313	1.385	-0.872

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4492	2.4606	3.4677	1.0070	1.0070	2.0743	2.0743
C2	1.4492		1.4679	2.6124	2.0327	2.0327	1.0851	1.0851
C3	2.4606	1.4679		1.1449	2.6896	2.6896	2.0805	2.0805
N4	3.4677	2.6124	1.1449		3.5353	3.5353	3.1334	3.1334
H5	1.0070	2.0327	2.6896	3.5353		1.6200	2.3860	2.9187
H6	1.0070	2.0327	2.6896	3.5353	1.6200		2.9187	2.3860
H7	2.0743	1.0851	2.0805	3.1334	2.3860	2.9187		1.7446
H8	2.0743	1.0851	2.0805	3.1334	2.9187	2.3860	1.7446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.026	N1	C2	H7	109.024
N1	C2	H8	109.024	C2	N1	H5	110.408
C2	N1	H6	110.408	C2	C3	N4	178.040
C3	C2	H7	108.232	C3	C2	H8	108.232
H5	N1	H6	107.099	H7	C2	H8	107.011

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3=FULL/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: MP3=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)