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	hartrees
Energy at 0K	-187.703932
Energy at 298.15K	-187.708883
HF Energy	-186.966940
Nuclear repulsion energy	103.656825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3604	3604	4.35
2	A'	3156	3156	6.79
3	A'	2450	2450	0.57
4	A'	1715	1715	25.49
5	A'	1519	1519	6.11
6	A'	1407	1407	11.12
7	A'	1161	1161	11.30
8	A'	981	981	129.93
9	A'	878	878	60.89
10	A'	599	599	6.49
11	A'	235	235	14.65
12	A"	3687	3687	9.05
13	A"	3204	3204	1.68
14	A"	1433	1433	0.01
15	A"	1236	1236	0.05
16	A"	919	919	0.00
17	A"	430	430	3.72
18	A"	286	286	59.10

Atom	x (Å)	y (Å)	z (Å)
N1	-1.450	0.720	0.000
C2	0.000	0.824	0.000
C3	0.715	-0.463	0.000
N4	1.247	-1.482	0.000
H5	-1.755	0.196	0.809
H6	-1.755	0.196	-0.809
H7	0.319	1.388	0.874
H8	0.319	1.388	-0.874

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4534	2.4668	3.4810	1.0103	1.0103	2.0830	2.0830
C2	1.4534		1.4730	2.6219	2.0317	2.0317	1.0881	1.0881
C3	2.4668	1.4730		1.1491	2.6814	2.6814	2.0857	2.0857
N4	3.4810	2.6219	1.1491		3.5329	3.5329	3.1408	3.1408
H5	1.0103	2.0317	2.6814	3.5329		1.6172	2.3927	2.9245
H6	1.0103	2.0317	2.6814	3.5329	1.6172		2.9245	2.3927
H7	2.0830	1.0881	2.0857	3.1408	2.3927	2.9245		1.7484
H8	2.0830	1.0881	2.0857	3.1408	2.9245	2.3927	1.7484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.908	N1	C2	H7	109.249
N1	C2	H8	109.249	C2	N1	H5	109.800
C2	N1	H6	109.800	C2	C3	N4	178.513
C3	C2	H7	108.110	C3	C2	H8	108.110
H5	N1	H6	106.338	H7	C2	H8	106.917

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)