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	hartrees
Energy at 0K	-187.958746
Energy at 298.15K	-187.963423
HF Energy	-187.958746
Nuclear repulsion energy	102.640248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3599	3447	5.58
2	A'	3075	2945	14.78
3	A'	2307	2209	1.55
4	A'	1715	1643	33.98
5	A'	1505	1442	14.23
6	A'	1399	1339	2.39
7	A'	1133	1085	28.87
8	A'	895	857	38.82
9	A'	611	585	137.90
10	A'	552	529	228.51
11	A'	212	203	9.42
12	A"	3724	3566	11.20
13	A"	3123	2991	5.33
14	A"	1388	1329	0.22
15	A"	1210	1158	0.82
16	A"	902	864	1.21
17	A"	393	376	19.19
18	A"	263	252	45.92

Atom	x (Å)	y (Å)	z (Å)
N1	-1.443	0.706	0.000
C2	0.000	0.823	0.000
C3	0.735	-0.462	0.000
N4	1.254	-1.514	0.000
H5	-1.860	0.344	0.845
H6	-1.860	0.344	-0.845
H7	0.316	1.402	0.876
H8	0.316	1.402	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4481	2.4723	3.4939	1.0096	1.0096	2.0846	2.0846
C2	1.4481		1.4808	2.6525	2.0986	2.0986	1.0961	1.0961
C3	2.4723	1.4808		1.1729	2.8463	2.8463	2.1017	2.1017
N4	3.4939	2.6525	1.1729		3.7239	3.7239	3.1858	3.1858
H5	1.0096	2.0986	2.8463	3.7239		1.6905	2.4196	2.9691
H6	1.0096	2.0986	2.8463	3.7239	1.6905		2.9691	2.4196
H7	2.0846	1.0961	2.1017	3.1858	2.4196	2.9691		1.7514
H8	2.0846	1.0961	2.1017	3.1858	2.9691	2.4196	1.7514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.143	N1	C2	H7	109.260
N1	C2	H8	109.260	C2	N1	H5	116.132
C2	N1	H6	116.132	C2	C3	N4	176.488
C3	C2	H7	108.369	C3	C2	H8	108.369
H5	N1	H6	113.701	H7	C2	H8	106.053

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B3PW91/6-31G

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	-0.713
2	C	-0.233
3	C	0.161
4	N	-0.313
5	H	0.322
6	H	0.322
7	H	0.228
8	H	0.228

	x	y	z	Total
	-1.890	2.162	0.000	2.872
CHELPG
AIM
ESP

	x	y	z
x	4.555	-1.045	0.000
y	-1.045	4.873	0.000
z	0.000	0.000	3.363

<r²>	83.850
(<r²>)^1/2	9.157

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)