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	hartrees
Energy at 0K	-187.900460
Energy at 298.15K	-187.905295
HF Energy	-187.702834
Nuclear repulsion energy	102.850823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3515	3333	1.05
2	A'	3110	2950	10.94
3	A'	2293	2175	0.00
4	A'	1725	1636	25.89
5	A'	1518	1440	6.18
6	A'	1396	1324	11.37
7	A'	1135	1077	16.81
8	A'	955	906	164.72
9	A'	864	820	51.46
10	A'	570	541	10.06
11	A'	213	202	12.43
12	A"	3605	3419	3.14
13	A"	3156	2993	5.01
14	A"	1418	1345	0.05
15	A"	1222	1159	0.04
16	A"	913	866	0.02
17	A"	403	383	18.28
18	A"	280	265	53.92

Atom	x (Å)	y (Å)	z (Å)
N1	-1.455	0.723	0.000
C2	0.000	0.833	0.000
C3	0.727	-0.458	0.000
N4	1.247	-1.503	0.000
H5	-1.764	0.200	0.815
H6	-1.764	0.200	-0.815
H7	0.312	1.405	0.877
H8	0.312	1.405	-0.877

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4591	2.4806	3.5011	1.0167	1.0167	2.0872	2.0872
C2	1.4591		1.4810	2.6482	2.0436	2.0436	1.0930	1.0930
C3	2.4806	1.4810		1.1681	2.7018	2.7018	2.1004	2.1004
N4	3.5011	2.6482	1.1681		3.5541	3.5541	3.1787	3.1787
H5	1.0167	2.0436	2.7018	3.5541		1.6304	2.4010	2.9370
H6	1.0167	2.0436	2.7018	3.5541	1.6304		2.9370	2.4010
H7	2.0872	1.0930	2.1004	3.1787	2.4010	2.9370		1.7549
H8	2.0872	1.0930	2.1004	3.1787	2.9370	2.4010	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.075	N1	C2	H7	108.894
N1	C2	H8	108.894	C2	N1	H5	109.981
C2	N1	H6	109.981	C2	C3	N4	177.065
C3	C2	H7	108.435	C3	C2	H8	108.435
H5	N1	H6	106.607	H7	C2	H8	106.797

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B2PLYP=FULL/6-31G*

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: B2PLYP=FULL/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)