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	hartrees
Energy at 0K	-188.152878
Energy at 298.15K	-188.157695
HF Energy	-188.152878
Nuclear repulsion energy	103.089196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3477	3477	0.57
2	A'	3058	3058	12.91
3	A'	2316	2316	2.98
4	A'	1680	1680	23.26
5	A'	1479	1479	6.86
6	A'	1360	1360	9.56
7	A'	1103	1103	17.17
8	A'	926	926	126.16
9	A'	847	847	61.61
10	A'	567	567	10.46
11	A'	212	212	10.65
12	A"	3555	3555	1.94
13	A"	3097	3097	5.73
14	A"	1391	1391	0.11
15	A"	1196	1196	0.03
16	A"	891	891	0.07
17	A"	400	400	14.60
18	A"	271	271	48.24

Atom	x (Å)	y (Å)	z (Å)
N1	-1.459	0.711	0.000
C2	0.000	0.832	0.000
C3	0.731	-0.453	0.000
N4	1.247	-1.489	0.000
H5	-1.760	0.182	0.815
H6	-1.760	0.182	-0.815
H7	0.310	1.404	0.878
H8	0.310	1.404	-0.878

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4636	2.4794	3.4875	1.0170	1.0170	2.0929	2.0929
C2	1.4636		1.4773	2.6346	2.0453	2.0453	1.0932	1.0932
C3	2.4794	1.4773		1.1583	2.6964	2.6964	2.0961	2.0961
N4	3.4875	2.6346	1.1583		3.5356	3.5356	3.1652	3.1652
H5	1.0170	2.0453	2.6964	3.5356		1.6291	2.4048	2.9402
H6	1.0170	2.0453	2.6964	3.5356	1.6291		2.9402	2.4048
H7	2.0929	1.0932	2.0961	3.1652	2.4048	2.9402		1.7566
H8	2.0929	1.0932	2.0961	3.1652	2.9402	2.4048	1.7566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.928	N1	C2	H7	109.016
N1	C2	H8	109.016	C2	N1	H5	109.770
C2	N1	H6	109.770	C2	C3	N4	176.832
C3	C2	H7	108.338	C3	C2	H8	108.338
H5	N1	H6	106.441	H7	C2	H8	106.912

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: TPSSh/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	-0.451
2	C	-0.059
3	C	0.065
4	N	-0.299
5	H	0.208
6	H	0.208
7	H	0.164
8	H	0.164

	x	y	z	Total
	-1.592	2.017	0.000	2.569
CHELPG
AIM
ESP

	x	y	z
x	5.129	-1.055	0.000
y	-1.055	5.528	0.000
z	0.000	0.000	3.817

<r²>	82.767
(<r²>)^1/2	9.098

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: TPSSh/6-311G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)