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	hartrees
Energy at 0K	-188.106375
Energy at 298.15K	-188.111178
HF Energy	-188.106375
Nuclear repulsion energy	102.830396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3485	3341	0.36
2	A'	3073	2946	12.96
3	A'	2327	2230	2.73
4	A'	1687	1617	21.84
5	A'	1488	1427	5.60
6	A'	1364	1308	10.21
7	A'	1112	1066	17.27
8	A'	926	888	137.98
9	A'	849	814	64.22
10	A'	565	541	10.98
11	A'	209	201	11.02
12	A"	3572	3425	1.70
13	A"	3117	2988	5.86
14	A"	1394	1336	0.08
15	A"	1195	1146	0.02
16	A"	893	856	0.02
17	A"	403	386	17.18
18	A"	273	262	50.86

Atom	x (Å)	y (Å)	z (Å)
N1	-1.458	0.718	0.000
C2	0.000	0.835	0.000
C3	0.731	-0.454	0.000
N4	1.245	-1.500	0.000
H5	-1.759	0.187	0.815
H6	-1.759	0.187	-0.815
H7	0.311	1.407	0.879
H8	0.311	1.407	-0.879

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4630	2.4834	3.4971	1.0185	1.0185	2.0926	2.0926
C2	1.4630		1.4815	2.6461	2.0441	2.0441	1.0945	1.0945
C3	2.4834	1.4815		1.1657	2.6973	2.6973	2.1007	2.1007
N4	3.4971	2.6461	1.1657		3.5406	3.5406	3.1776	3.1776
H5	1.0185	2.0441	2.6973	3.5406		1.6304	2.4040	2.9405
H6	1.0185	2.0441	2.6973	3.5406	1.6304		2.9405	2.4040
H7	2.0926	1.0945	2.1007	3.1776	2.4040	2.9405		1.7589
H8	2.0926	1.0945	2.1007	3.1776	2.9405	2.4040	1.7589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.001	N1	C2	H7	108.970
N1	C2	H8	108.970	C2	N1	H5	109.625
C2	N1	H6	109.625	C2	C3	N4	176.608
C3	C2	H7	108.334	C3	C2	H8	108.334
H5	N1	H6	106.334	H7	C2	H8	106.937

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	N	-0.603
2	C	-0.158
3	C	0.333
4	N	-0.483
5	H	0.272
6	H	0.272
7	H	0.184
8	H	0.184

	x	y	z	Total
	-1.559	1.918	0.000	2.471
CHELPG
AIM
ESP

	x	y	z
x	4.837	-1.026	0.000
y	-1.026	5.248	0.000
z	0.000	0.000	3.615

<r²>	82.937
(<r²>)^1/2	9.107

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

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

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)