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	hartrees
Energy at 0K	-187.264199
Energy at 298.15K	-187.268850
HF Energy	-186.848955
Nuclear repulsion energy	101.193104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3560	3406	3.01
2	A'	3091	2958	14.66
3	A'	2082	1992	9.61
4	A'	1754	1678	29.08
5	A'	1544	1478	7.68
6	A'	1413	1352	4.23
7	A'	1112	1064	22.29
8	A'	877	839	67.37
9	A'	716	685	266.69
10	A'	543	520	31.64
11	A'	185	177	8.82
12	A"	3684	3525	6.57
13	A"	3142	3006	7.70
14	A"	1411	1350	0.09
15	A"	1227	1174	0.65
16	A"	909	869	0.02
17	A"	379	363	41.02
18	A"	248	238	32.63

Atom	x (Å)	y (Å)	z (Å)
N1	-1.467	0.725	0.000
C2	0.000	0.839	0.000
C3	0.745	-0.463	0.000
N4	1.273	-1.543	0.000
H5	-1.858	0.316	0.843
H6	-1.858	0.316	-0.843
H7	0.304	1.418	0.882
H8	0.304	1.418	-0.882

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4716	2.5109	3.5573	1.0152	1.0152	2.0958	2.0958
C2	1.4716		1.5002	2.7008	2.1062	2.1062	1.0976	1.0976
C3	2.5109	1.5002		1.2020	2.8447	2.8447	2.1238	2.1238
N4	3.5573	2.7008	1.2020		3.7379	3.7379	3.2377	3.2377
H5	1.0152	2.1062	2.8447	3.7379		1.6859	2.4263	2.9767
H6	1.0152	2.1062	2.8447	3.7379	1.6859		2.9767	2.4263
H7	2.0958	1.0976	2.1238	3.2377	2.4263	2.9767		1.7639
H8	2.0958	1.0976	2.1238	3.2377	2.9767	2.4263	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.325	N1	C2	H7	108.447
N1	C2	H8	108.447	C2	N1	H5	114.522
C2	N1	H6	114.522	C2	C3	N4	176.332
C3	C2	H7	108.687	C3	C2	H8	108.687
H5	N1	H6	112.262	H7	C2	H8	106.937

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)