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	hartrees
Energy at 0K	-186.966459
Energy at 298.15K	-186.971367
HF Energy	-186.966459
Nuclear repulsion energy	102.653061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3473	3330	3.73
2	A'	3138	3008	5.75
3	A'	2373	2275	0.05
4	A'	1723	1652	26.05
5	A'	1537	1473	13.84
6	A'	1405	1347	0.17
7	A'	1113	1067	16.93
8	A'	894	857	37.63
9	A'	678	650	220.76
10	A'	615	590	65.23
11	A'	240	230	11.53
12	A"	3579	3431	8.03
13	A"	3179	3048	1.24
14	A"	1411	1352	0.11
15	A"	1245	1194	0.04
16	A"	918	880	0.26
17	A"	458	440	12.56
18	A"	297	285	63.62

Atom	x (Å)	y (Å)	z (Å)
N1	-1.462	0.698	0.000
C2	0.000	0.829	0.000
C3	0.734	-0.457	0.000
N4	1.267	-1.489	0.000
H5	-1.824	0.253	0.843
H6	-1.824	0.253	-0.843
H7	0.304	1.402	0.881
H8	0.304	1.402	-0.881

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4675	2.4816	3.4971	1.0205	1.0205	2.0950	2.0950
C2	1.4675		1.4809	2.6414	2.0907	2.0907	1.0938	1.0938
C3	2.4816	1.4809		1.1610	2.7859	2.7859	2.1015	2.1015
N4	3.4971	2.6414	1.1610		3.6467	3.6467	3.1715	3.1715
H5	1.0205	2.0907	2.7859	3.6467		1.6865	2.4193	2.9704
H6	1.0205	2.0907	2.7859	3.6467	1.6865		2.9704	2.4193
H7	2.0950	1.0938	2.1015	3.1715	2.4193	2.9704		1.7612
H8	2.0950	1.0938	2.1015	3.1715	2.9704	2.4193	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.633	N1	C2	H7	108.883
N1	C2	H8	108.883	C2	N1	H5	113.125
C2	N1	H6	113.125	C2	C3	N4	177.568
C3	C2	H7	108.482	C3	C2	H8	108.482
H5	N1	H6	111.442	H7	C2	H8	107.230

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: M06-2X/3-21G

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	-0.672
2	C	-0.294
3	C	0.280
4	N	-0.452
5	H	0.297
6	H	0.297
7	H	0.272
8	H	0.272

	x	y	z	Total
	-1.588	1.762	0.000	2.372
CHELPG
AIM
ESP

	x	y	z
x	4.179	-0.834	0.000
y	-0.834	4.317	0.000
z	0.000	0.000	3.165

<r²>	83.581
(<r²>)^1/2	9.142

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)