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	hartrees
Energy at 0K	-188.067746
Energy at 298.15K	-188.072609
HF Energy	-188.067746
Nuclear repulsion energy	103.482572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3541	3541	4.58
2	A'	3100	3100	7.37
3	A'	2405	2405	2.25
4	A'	1674	1674	29.34
5	A'	1481	1481	8.88
6	A'	1373	1373	9.50
7	A'	1136	1136	12.78
8	A'	943	943	122.03
9	A'	850	850	89.52
10	A'	585	585	11.72
11	A'	220	220	12.70
12	A"	3624	3624	9.91
13	A"	3143	3143	1.61
14	A"	1394	1394	0.05
15	A"	1203	1203	0.02
16	A"	901	901	0.01
17	A"	407	407	11.12
18	A"	274	274	53.73

Atom	x (Å)	y (Å)	z (Å)
N1	-1.449	0.717	0.000
C2	0.000	0.828	0.000
C3	0.722	-0.462	0.000
N4	1.242	-1.486	0.000
H5	-1.762	0.202	0.815
H6	-1.762	0.202	-0.815
H7	0.320	1.394	0.877
H8	0.320	1.394	-0.877

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4535	2.4711	3.4785	1.0137	1.0137	2.0872	2.0872
C2	1.4535		1.4788	2.6269	2.0402	2.0402	1.0914	1.0914
C3	2.4711	1.4788		1.1485	2.6980	2.6980	2.0923	2.0923
N4	3.4785	2.6269	1.1485		3.5417	3.5417	3.1493	3.1493
H5	1.0137	2.0402	2.6980	3.5417		1.6303	2.4000	2.9357
H6	1.0137	2.0402	2.6980	3.5417	1.6303		2.9357	2.4000
H7	2.0872	1.0914	2.0923	3.1493	2.4000	2.9357		1.7531
H8	2.0872	1.0914	2.0923	3.1493	2.9357	2.4000	1.7531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.851	N1	C2	H7	109.372
N1	C2	H8	109.372	C2	N1	H5	110.289
C2	N1	H6	110.289	C2	C3	N4	177.695
C3	C2	H7	108.037	C3	C2	H8	108.037
H5	N1	H6	107.045	H7	C2	H8	106.869

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: M06-2X/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	-0.484
2	C	-0.155
3	C	0.071
4	N	-0.274
5	H	0.227
6	H	0.227
7	H	0.194
8	H	0.194

	x	y	z	Total
	-1.557	2.005	0.000	2.539
CHELPG
AIM
ESP

	x	y	z
x	4.883	-0.948	0.000
y	-0.948	5.301	0.000
z	0.000	0.000	3.726

<r²>	82.507
(<r²>)^1/2	9.083

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: M06-2X/6-311G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)