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	hartrees
Energy at 0K	-187.571133
Energy at 298.15K	-187.575988
HF Energy	-186.952042
Nuclear repulsion energy	102.924908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3592	3368	0.88
2	A'	3152	2955	12.42
3	A'	2373	2225	0.50
4	A'	1724	1616	24.97
5	A'	1535	1440	4.08
6	A'	1414	1325	14.14
7	A'	1156	1084	13.14
8	A'	978	917	156.54
9	A'	874	819	52.28
10	A'	570	535	10.31
11	A'	212	199	13.26
12	A"	3685	3455	2.73
13	A"	3203	3003	6.19
14	A"	1429	1340	0.05
15	A"	1230	1154	0.00
16	A"	917	860	0.27
17	A"	399	374	17.93
18	A"	281	264	52.11

Atom	x (Å)	y (Å)	z (Å)
N1	-1.454	0.730	0.000
C2	0.000	0.833	0.000
C3	0.721	-0.466	0.000
N4	1.249	-1.504	0.000
H5	-1.761	0.209	0.812
H6	-1.761	0.209	-0.812
H7	0.317	1.398	0.876
H8	0.317	1.398	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4577	2.4823	3.5072	1.0131	1.0131	2.0855	2.0855
C2	1.4577		1.4857	2.6499	2.0376	2.0376	1.0896	1.0896
C3	2.4823	1.4857		1.1646	2.6974	2.6974	2.0989	2.0989
N4	3.5072	2.6499	1.1646		3.5575	3.5575	3.1714	3.1714
H5	1.0131	2.0376	2.6974	3.5575		1.6244	2.3952	2.9298
H6	1.0131	2.0376	2.6974	3.5575	1.6244		2.9298	2.3952
H7	2.0855	1.0896	2.0989	3.1714	2.3952	2.9298		1.7526
H8	2.0855	1.0896	2.0989	3.1714	2.9298	2.3952	1.7526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.983	N1	C2	H7	109.055
N1	C2	H8	109.055	C2	N1	H5	109.804
C2	N1	H6	109.804	C2	C3	N4	177.959
C3	C2	H7	108.194	C3	C2	H8	108.194
H5	N1	H6	106.587	H7	C2	H8	107.075

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)