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	hartrees
Energy at 0K	-187.922763
Energy at 298.15K	-187.927624
HF Energy	-187.922763
Nuclear repulsion energy	103.566129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3545	3401	2.47
2	A'	3076	2951	10.35
3	A'	2374	2278	3.63
4	A'	1676	1608	27.77
5	A'	1462	1403	9.67
6	A'	1364	1309	8.27
7	A'	1136	1089	12.86
8	A'	942	904	108.66
9	A'	853	819	96.13
10	A'	582	559	10.66
11	A'	218	209	11.62
12	A"	3627	3480	6.25
13	A"	3117	2990	3.21
14	A"	1392	1335	0.06
15	A"	1199	1150	0.06
16	A"	895	859	0.01
17	A"	407	391	13.10
18	A"	278	267	51.59

Atom	x (Å)	y (Å)	z (Å)
N1	-1.446	0.719	0.000
C2	0.000	0.823	0.000
C3	0.721	-0.459	0.000
N4	1.239	-1.488	0.000
H5	-1.762	0.205	0.814
H6	-1.762	0.205	-0.814
H7	0.323	1.395	0.875
H8	0.323	1.395	-0.875

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4498	2.4663	3.4763	1.0133	1.0133	2.0861	2.0861
C2	1.4498		1.4705	2.6226	2.0369	2.0369	1.0940	1.0940
C3	2.4663	1.4705		1.1527	2.6957	2.6957	2.0878	2.0878
N4	3.4763	2.6226	1.1527		3.5410	3.5410	3.1490	3.1490
H5	1.0133	2.0369	2.6957	3.5410		1.6281	2.4013	2.9352
H6	1.0133	2.0369	2.6957	3.5410	1.6281		2.9352	2.4013
H7	2.0861	1.0940	2.0878	3.1490	2.4013	2.9352		1.7502
H8	2.0861	1.0940	2.0878	3.1490	2.9352	2.4013	1.7502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.241	N1	C2	H7	109.389
N1	C2	H8	109.389	C2	N1	H5	110.318
C2	N1	H6	110.318	C2	C3	N4	177.403
C3	C2	H7	108.100	C3	C2	H8	108.100
H5	N1	H6	106.907	H7	C2	H8	106.238

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: PBE1PBE/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	-0.452
2	C	-0.107
3	C	0.055
4	N	-0.277
5	H	0.212
6	H	0.212
7	H	0.179
8	H	0.179

	x	y	z	Total
	-1.621	2.032	0.000	2.599
CHELPG
AIM
ESP

	x	y	z
x	4.965	-0.997	0.000
y	-0.997	5.412	0.000
z	0.000	0.000	3.763

<r²>	82.267
(<r²>)^1/2	9.070

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)