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	hartrees
Energy at 0K	-186.339393
Energy at 298.15K	-186.344263
HF Energy	-185.892465
Nuclear repulsion energy	101.257866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3382	3310
2	A'	3060	2995
3	A'	2139	2094
4	A'	1746	1709
5	A'	1542	1509
6	A'	1390	1361
7	A'	1090	1067
8	A'	858	840
9	A'	774	758
10	A'	575	563
11	A'	223	219
12	A"	3481	3407
13	A"	3102	3037
14	A"	1412	1382
15	A"	1246	1220
16	A"	902	883
17	A"	432	423
18	A"	304	298

Atom	x (Å)	y (Å)	z (Å)
N1	-1.491	0.711	0.000
C2	0.000	0.843	0.000
C3	0.746	-0.454	0.000
N4	1.286	-1.510	0.000
H5	-1.812	0.211	0.837
H6	-1.812	0.211	-0.837
H7	0.293	1.421	0.887
H8	0.293	1.421	-0.887

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4973	2.5228	3.5559	1.0265	1.0265	2.1153	2.1153
C2	1.4973		1.4972	2.6820	2.0938	2.0938	1.0983	1.0983
C3	2.5228	1.4972		1.1856	2.7727	2.7727	2.1237	2.1237
N4	3.5559	2.6820	1.1856		3.6412	3.6412	3.2196	3.2196
H5	1.0265	2.0938	2.7727	3.6412		1.6748	2.4280	2.9778
H6	1.0265	2.0938	2.7727	3.6412	1.6748		2.9778	2.4280
H7	2.1153	1.0983	2.1237	3.2196	2.4280	2.9778		1.7746
H8	2.1153	1.0983	2.1237	3.2196	2.9778	2.4280	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.810	N1	C2	H7	108.180
N1	C2	H8	108.180	C2	N1	H5	110.740
C2	N1	H6	110.740	C2	C3	N4	177.161
C3	C2	H7	108.843	C3	C2	H8	108.843
H5	N1	H6	109.334	H7	C2	H8	107.772

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP4=FULL/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: MP4=FULL/3-21G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)