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	hartrees
Energy at 0K	-32.918605
Energy at 298.15K	-32.923212
HF Energy	-32.541489
Nuclear repulsion energy	54.076657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3553	3433	1.43
2	A'	3096	2992	27.61
3	A'	1995	1928	17.36
4	A'	1720	1662	32.51
5	A'	1504	1454	8.93
6	A'	1384	1338	10.69
7	A'	1099	1062	26.72
8	A'	859	831	83.45
9	A'	703	680	260.61
10	A'	529	511	39.78
11	A'	198	191	9.77
12	A"	3685	3561	3.72
13	A"	3171	3064	16.09
14	A"	1385	1338	0.01
15	A"	1204	1164	0.85
16	A"	890	860	0.03
17	A"	353	341	34.67
18	A"	251	242	44.62

Atom	x (Å)	y (Å)	z (Å)
N1	-1.490	0.759	0.000
C2	0.000	0.856	0.000
C3	0.745	-0.488	0.000
N4	1.302	-1.583	0.000
H5	-1.891	0.351	0.850
H6	-1.891	0.351	-0.850
H7	0.314	1.425	0.896
H8	0.314	1.425	-0.896

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4935	2.5598	3.6446	1.0247	1.0247	2.1218	2.1218
C2	1.4935		1.5367	2.7649	2.1338	2.1338	1.1068	1.1068
C3	2.5598	1.5367		1.2287	2.8936	2.8936	2.1556	2.1556
N4	3.6446	2.7649	1.2287		3.8280	3.8280	3.2903	3.2903
H5	1.0247	2.1338	2.8936	3.8280		1.7000	2.4533	3.0108
H6	1.0247	2.1338	2.8936	3.8280	1.7000		3.0108	2.4533
H7	2.1218	1.1068	2.1556	3.2903	2.4533	3.0108		1.7920
H8	2.1218	1.1068	2.1556	3.2903	3.0108	2.4533	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.287	N1	C2	H7	108.461
N1	C2	H8	108.461	C2	N1	H5	114.573
C2	N1	H6	114.573	C2	C3	N4	177.937
C3	C2	H7	108.160	C3	C2	H8	108.160
H5	N1	H6	112.098	H7	C2	H8	108.107

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)