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	hartrees
Energy at 0K	-186.332963
Energy at 298.15K	-186.337833
HF Energy	-185.892410
Nuclear repulsion energy	101.245040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3381	3279
2	A'	3060	2968
3	A'	2139	2075
4	A'	1746	1693
5	A'	1542	1496
6	A'	1390	1348
7	A'	1091	1058
8	A'	858	832
9	A'	775	752
10	A'	576	558
11	A'	223	217
12	A"	3480	3375
13	A"	3102	3009
14	A"	1412	1369
15	A"	1246	1209
16	A"	902	875
17	A"	432	419
18	A"	304	295

Atom	x (Å)	y (Å)	z (Å)
N1	-1.492	0.711	0.000
C2	0.000	0.844	0.000
C3	0.746	-0.455	0.000
N4	1.286	-1.510	0.000
H5	-1.812	0.210	0.837
H6	-1.812	0.210	-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		1.4976	2.5234	3.5566	1.0266	1.0266	2.1156	2.1156
C2	1.4976		1.4974	2.6823	2.0939	2.0939	1.0984	1.0984
C3	2.5234	1.4974		1.1857	2.7726	2.7726	2.1239	2.1239
N4	3.5566	2.6823	1.1857		3.6411	3.6411	3.2198	3.2198
H5	1.0266	2.0939	2.7726	3.6411		1.6748	2.4282	2.9780
H6	1.0266	2.0939	2.7726	3.6411	1.6748		2.9780	2.4282
H7	2.1156	1.0984	2.1239	3.2198	2.4282	2.9780		1.7749
H8	2.1156	1.0984	2.1239	3.2198	2.9780	2.4282	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.813	N1	C2	H7	108.176
N1	C2	H8	108.176	C2	N1	H5	110.709
C2	N1	H6	110.709	C2	C3	N4	177.164
C3	C2	H7	108.839	C3	C2	H8	108.839
H5	N1	H6	109.304	H7	C2	H8	107.784

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)