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	hartrees
Energy at 0K	-188.060572
Energy at 298.15K	-188.065446
HF Energy	-188.060572
Nuclear repulsion energy	103.455357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3543	3543	1.86
2	A'	3113	3113	8.62
3	A'	2404	2404	2.04
4	A'	1727	1727	36.40
5	A'	1493	1493	9.31
6	A'	1384	1384	9.65
7	A'	1141	1141	12.86
8	A'	953	953	160.74
9	A'	863	863	71.60
10	A'	586	586	11.66
11	A'	222	222	13.17
12	A"	3624	3624	5.68
13	A"	3156	3156	2.49
14	A"	1411	1411	0.05
15	A"	1218	1218	0.04
16	A"	906	906	0.00
17	A"	410	410	13.41
18	A"	279	279	57.35

Atom	x (Å)	y (Å)	z (Å)
N1	-1.449	0.719	0.000
C2	0.000	0.827	0.000
C3	0.723	-0.464	0.000
N4	1.243	-1.488	0.000
H5	-1.765	0.206	0.815
H6	-1.765	0.206	-0.815
H7	0.318	1.396	0.876
H8	0.318	1.396	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4534	2.4731	3.4810	1.0136	1.0136	2.0849	2.0849
C2	1.4534		1.4795	2.6275	2.0408	2.0408	1.0913	1.0913
C3	2.4731	1.4795		1.1486	2.7020	2.7020	2.0950	2.0950
N4	3.4810	2.6275	1.1486		3.5468	3.5468	3.1525	3.1525
H5	1.0136	2.0408	2.7020	3.5468		1.6308	2.3990	2.9345
H6	1.0136	2.0408	2.7020	3.5468	1.6308		2.9345	2.3990
H7	2.0849	1.0913	2.0950	3.1525	2.3990	2.9345		1.7511
H8	2.0849	1.0913	2.0950	3.1525	2.9345	2.3990	1.7511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.967	N1	C2	H7	109.211
N1	C2	H8	109.211	C2	N1	H5	110.367
C2	N1	H6	110.367	C2	C3	N4	177.688
C3	C2	H7	108.213	C3	C2	H8	108.213
H5	N1	H6	107.121	H7	C2	H8	106.707

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	-0.733
2	C	-0.374
3	C	0.133
4	N	-0.275
5	H	0.340
6	H	0.340
7	H	0.284
8	H	0.284

	x	y	z	Total
	-1.541	1.918	0.000	2.460
CHELPG
AIM
ESP

	x	y	z
x	4.810	-0.938	0.000
y	-0.938	5.236	0.000
z	0.000	0.000	3.678

<r²>	82.655
(<r²>)^1/2	9.091

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)