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	hartrees
Energy at 0K	-188.102091
Energy at 298.15K	-188.106910
HF Energy	-188.102091
Nuclear repulsion energy	102.940453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3367	0.87
2	A'	3065	2945	12.05
3	A'	2355	2263	2.21
4	A'	1680	1614	22.92
5	A'	1478	1420	6.03
6	A'	1369	1315	10.38
7	A'	1112	1068	14.80
8	A'	926	890	129.80
9	A'	846	812	79.12
10	A'	570	548	10.10
11	A'	214	206	11.82
12	A"	3591	3450	2.75
13	A"	3106	2984	5.10
14	A"	1390	1336	0.03
15	A"	1197	1150	0.04
16	A"	897	862	0.00
17	A"	403	388	14.65
18	A"	277	266	52.64

Atom	x (Å)	y (Å)	z (Å)
N1	-1.456	0.723	0.000
C2	0.000	0.830	0.000
C3	0.728	-0.459	0.000
N4	1.246	-1.499	0.000
H5	-1.768	0.202	0.816
H6	-1.768	0.202	-0.816
H7	0.318	1.403	0.878
H8	0.318	1.403	-0.878

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4601	2.4840	3.4985	1.0169	1.0169	2.0927	2.0927
C2	1.4601		1.4808	2.6413	2.0458	2.0458	1.0952	1.0952
C3	2.4840	1.4808		1.1614	2.7081	2.7081	2.0992	2.0992
N4	3.4985	2.6413	1.1614		3.5556	3.5556	3.1706	3.1706
H5	1.0169	2.0458	2.7081	3.5556		1.6311	2.4077	2.9428
H6	1.0169	2.0458	2.7081	3.5556	1.6311		2.9428	2.4077
H7	2.0927	1.0952	2.0992	3.1706	2.4077	2.9428		1.7552
H8	2.0927	1.0952	2.0992	3.1706	2.9428	2.4077	1.7552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.261	N1	C2	H7	109.132
N1	C2	H8	109.132	C2	N1	H5	110.079
C2	N1	H6	110.079	C2	C3	N4	177.012
C3	C2	H7	108.225	C3	C2	H8	108.225
H5	N1	H6	106.651	H7	C2	H8	106.513

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B3LYP/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	-0.575
2	C	-0.121
3	C	0.317
4	N	-0.463
5	H	0.258
6	H	0.258
7	H	0.163
8	H	0.163

	x	y	z	Total
	-1.572	1.920	0.000	2.482
CHELPG
AIM
ESP

	x	y	z
x	4.737	-0.975	0.000
y	-0.975	5.143	0.000
z	0.000	0.000	3.586

<r²>	82.976
(<r²>)^1/2	9.109

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)