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	hartrees
Energy at 0K	-186.987200
Energy at 298.15K	-186.992246
HF Energy	-186.987200
Nuclear repulsion energy	104.121572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3762	3403	1.54
2	A'	3246	2936	18.45
3	A'	2587	2340	4.30
4	A'	1862	1684	35.92
5	A'	1612	1458	5.89
6	A'	1502	1358	20.29
7	A'	1197	1083	15.78
8	A'	1018	921	228.15
9	A'	900	814	33.42
10	A'	628	568	10.43
11	A'	244	221	17.17
12	A"	3839	3472	4.35
13	A"	3286	2972	11.57
14	A"	1519	1374	0.00
15	A"	1309	1184	0.00
16	A"	975	882	0.11
17	A"	436	395	6.38
18	A"	301	272	67.13

Atom	x (Å)	y (Å)	z (Å)
N1	-1.441	0.724	0.000
C2	0.000	0.822	0.000
C3	0.717	-0.479	0.000
N4	1.240	-1.481	0.000
H5	-1.772	0.239	0.806
H6	-1.772	0.239	-0.806
H7	0.323	1.379	0.869
H8	0.323	1.379	-0.869

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4439	2.4707	3.4709	0.9978	0.9978	2.0721	2.0721
C2	1.4439		1.4857	2.6152	2.0321	2.0321	1.0814	1.0814
C3	2.4707	1.4857		1.1297	2.7129	2.7129	2.0884	2.0884
N4	3.4709	2.6152	1.1297		3.5603	3.5603	3.1258	3.1258
H5	0.9978	2.0321	2.7129	3.5603		1.6126	2.3855	2.9145
H6	0.9978	2.0321	2.7129	3.5603	1.6126		2.9145	2.3855
H7	2.0721	1.0814	2.0884	3.1258	2.3855	2.9145		1.7384
H8	2.0721	1.0814	2.0884	3.1258	2.9145	2.3855	1.7384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.983	N1	C2	H7	109.435
N1	C2	H8	109.435	C2	N1	H5	111.344
C2	N1	H6	111.344	C2	C3	N4	178.701
C3	C2	H7	107.850	C3	C2	H8	107.850
H5	N1	H6	107.808	H7	C2	H8	106.983

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HF/6-311G*

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	-0.790
2	C	-0.239
3	C	0.144
4	N	-0.340
5	H	0.346
6	H	0.346
7	H	0.267
8	H	0.267

	x	y	z	Total
	-1.649	2.107	0.000	2.676
CHELPG
AIM
ESP

	x	y	z
x	4.457	-0.836	0.000
y	-0.836	4.931	0.000
z	0.000	0.000	3.543

<r²>	82.380
(<r²>)^1/2	9.076

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)