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	hartrees
Energy at 0K	-186.858147
Energy at 298.15K	-186.863030
HF Energy	-186.858147
Nuclear repulsion energy	103.591121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3817	3446	9.13
2	A'	3238	2924	14.92
3	A'	2543	2296	3.37
4	A'	1846	1666	37.17
5	A'	1635	1476	10.47
6	A'	1524	1376	4.97
7	A'	1198	1082	35.34
8	A'	952	860	77.00
9	A'	659	595	117.67
10	A'	598	540	297.51
11	A'	242	219	13.48
12	A"	3942	3559	21.96
13	A"	3285	2966	7.68
14	A"	1498	1353	0.38
15	A"	1313	1186	2.07
16	A"	975	881	1.08
17	A"	421	380	7.27
18	A"	280	253	54.36

Atom	x (Å)	y (Å)	z (Å)
N1	-1.436	0.703	0.000
C2	0.000	0.814	0.000
C3	0.724	-0.478	0.000
N4	1.259	-1.493	0.000
H5	-1.866	0.380	0.835
H6	-1.866	0.380	-0.835
H7	0.316	1.377	0.868
H8	0.316	1.377	-0.868

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4407	2.4620	3.4766	0.9934	0.9934	2.0680	2.0680
C2	1.4407		1.4808	2.6276	2.0902	2.0902	1.0814	1.0814
C3	2.4620	1.4808		1.1471	2.8537	2.8537	2.0880	2.0880
N4	3.4766	2.6276	1.1471		3.7382	3.7382	3.1426	3.1426
H5	0.9934	2.0902	2.8537	3.7382		1.6707	2.3990	2.9418
H6	0.9934	2.0902	2.8537	3.7382	1.6707		2.9418	2.3990
H7	2.0680	1.0814	2.0880	3.1426	2.3990	2.9418		1.7354
H8	2.0680	1.0814	2.0880	3.1426	2.9418	2.3990	1.7354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.855	N1	C2	H7	109.333
N1	C2	H8	109.333	C2	N1	H5	117.162
C2	N1	H6	117.162	C2	C3	N4	178.557
C3	C2	H7	108.147	C3	C2	H8	108.147
H5	N1	H6	114.476	H7	C2	H8	106.712

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HF/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	-0.835
2	C	-0.110
3	C	0.123
4	N	-0.329
5	H	0.346
6	H	0.346
7	H	0.229
8	H	0.229

	x	y	z	Total
	-1.910	2.418	0.000	3.081
CHELPG
AIM
ESP

	x	y	z
x	4.134	-0.914	0.000
y	-0.914	4.503	0.000
z	0.000	0.000	3.213

<r²>	83.490
(<r²>)^1/2	9.137

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)