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	hartrees
Energy at 0K	-186.300358
Energy at 298.15K	-186.305264
HF Energy	-185.892699
Nuclear repulsion energy	101.489267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3449	3292	0.35
2	A'	3117	2975	9.32
3	A'	2124	2027	10.85
4	A'	1763	1682	19.97
5	A'	1567	1496	8.17
6	A'	1412	1348	0.91
7	A'	1100	1050	29.91
8	A'	874	834	62.14
9	A'	775	740	173.02
10	A'	586	560	15.80
11	A'	228	217	10.12
12	A"	3553	3392	1.08
13	A"	3162	3018	4.57
14	A"	1429	1364	0.30
15	A"	1263	1205	0.01
16	A"	916	874	0.06
17	A"	437	417	20.12
18	A"	308	294	57.50

Atom	x (Å)	y (Å)	z (Å)
N1	-1.484	0.711	0.000
C2	0.000	0.840	0.000
C3	0.742	-0.453	0.000
N4	1.283	-1.512	0.000
H5	-1.815	0.225	0.837
H6	-1.815	0.225	-0.837
H7	0.293	1.416	0.883
H8	0.293	1.416	-0.883

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4897	2.5119	3.5485	1.0221	1.0221	2.1059	2.1059
C2	1.4897		1.4910	2.6789	2.0907	2.0907	1.0942	1.0942
C3	2.5119	1.4910		1.1886	2.7744	2.7744	2.1152	2.1152
N4	3.5485	2.6789	1.1886		3.6483	3.6483	3.2139	3.2139
H5	1.0221	2.0907	2.7744	3.6483		1.6734	2.4209	2.9694
H6	1.0221	2.0907	2.7744	3.6483	1.6734		2.9694	2.4209
H7	2.1059	1.0942	2.1152	3.2139	2.4209	2.9694		1.7666
H8	2.1059	1.0942	2.1152	3.2139	2.9694	2.4209	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.855	N1	C2	H7	108.207
N1	C2	H8	108.207	C2	N1	H5	111.320
C2	N1	H6	111.320	C2	C3	N4	177.193
C3	C2	H7	108.843	C3	C2	H8	108.843
H5	N1	H6	109.891	H7	C2	H8	107.660

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)