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	hartrees
Energy at 0K	-187.612039
Energy at 298.15K	-187.616844
HF Energy	-186.972821
Nuclear repulsion energy	102.296016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3516	3391	3.07
2	A'	3091	2981	10.64
3	A'	2326	2244	0.13
4	A'	1672	1613	22.51
5	A'	1473	1421	4.35
6	A'	1366	1318	15.60
7	A'	1130	1090	12.11
8	A'	953	919	113.14
9	A'	850	820	50.71
10	A'	563	543	9.17
11	A'	213	205	13.42
12	A"	3603	3475	6.47
13	A"	3139	3028	3.66
14	A"	1392	1343	0.03
15	A"	1200	1158	0.02
16	A"	896	864	0.21
17	A"	381	368	8.48
18	A"	264	255	50.24

Atom	x (Å)	y (Å)	z (Å)
N1	-1.462	0.738	0.000
C2	0.000	0.836	0.000
C3	0.723	-0.472	0.000
N4	1.257	-1.513	0.000
H5	-1.778	0.215	0.817
H6	-1.778	0.215	-0.817
H7	0.323	1.404	0.887
H8	0.323	1.404	-0.887

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4651	2.4981	3.5301	1.0200	1.0200	2.1014	2.1014
C2	1.4651		1.4952	2.6643	2.0527	2.0527	1.1014	1.1014
C3	2.4981	1.4952		1.1694	2.7195	2.7195	2.1136	2.1136
N4	3.5301	2.6643	1.1694		3.5870	3.5870	3.1885	3.1885
H5	1.0200	2.0527	2.7195	3.5870		1.6332	2.4151	2.9545
H6	1.0200	2.0527	2.7195	3.5870	1.6332		2.9545	2.4151
H7	2.1014	1.1014	2.1136	3.1885	2.4151	2.9545		1.7734
H8	2.1014	1.1014	2.1136	3.1885	2.9545	2.4151	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.103	N1	C2	H7	109.099
N1	C2	H8	109.099	C2	N1	H5	110.087
C2	N1	H6	110.087	C2	C3	N4	178.248
C3	C2	H7	108.015	C3	C2	H8	108.015
H5	N1	H6	106.377	H7	C2	H8	107.228

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCD/aug-cc-pVDZ

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: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)