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	hartrees
Energy at 0K	-187.894690
Energy at 298.15K	-187.899534
HF Energy	-187.894690
Nuclear repulsion energy	103.323309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3553	3390	2.15
2	A'	3086	2945	10.45
3	A'	2384	2275	3.26
4	A'	1683	1606	26.18
5	A'	1471	1404	8.18
6	A'	1368	1305	8.79
7	A'	1140	1088	12.46
8	A'	941	898	118.48
9	A'	856	817	101.40
10	A'	580	553	10.94
11	A'	215	205	12.04
12	A"	3645	3479	5.94
13	A"	3133	2989	3.36
14	A"	1394	1330	0.03
15	A"	1198	1143	0.05
16	A"	897	856	0.03
17	A"	409	390	15.57
18	A"	280	267	54.42

Atom	x (Å)	y (Å)	z (Å)
N1	-1.446	0.723	0.000
C2	0.000	0.827	0.000
C3	0.723	-0.459	0.000
N4	1.238	-1.497	0.000
H5	-1.761	0.207	0.815
H6	-1.761	0.207	-0.815
H7	0.322	1.399	0.876
H8	0.322	1.399	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4498	2.4695	3.4832	1.0142	1.0142	2.0863	2.0863
C2	1.4498		1.4745	2.6332	2.0365	2.0365	1.0952	1.0952
C3	2.4695	1.4745		1.1596	2.6968	2.6968	2.0926	2.0926
N4	3.4832	2.6332	1.1596		3.5438	3.5438	3.1616	3.1616
H5	1.0142	2.0365	2.6968	3.5438		1.6293	2.4007	2.9358
H6	1.0142	2.0365	2.6968	3.5438	1.6293		2.9358	2.4007
H7	2.0863	1.0952	2.0926	3.1616	2.4007	2.9358		1.7526
H8	2.0863	1.0952	2.0926	3.1616	2.9358	2.4007	1.7526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.234	N1	C2	H7	109.330
N1	C2	H8	109.330	C2	N1	H5	110.227
C2	N1	H6	110.227	C2	C3	N4	177.034
C3	C2	H7	108.140	C3	C2	H8	108.140
H5	N1	H6	106.874	H7	C2	H8	106.291

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HSEh1PBE/6-31G**

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	-0.609
2	C	-0.180
3	C	0.322
4	N	-0.469
5	H	0.276
6	H	0.276
7	H	0.192
8	H	0.192

	x	y	z	Total
	-1.588	1.937	0.000	2.505
CHELPG
AIM
ESP

	x	y	z
x	4.691	-0.972	0.000
y	-0.972	5.142	0.000
z	0.000	0.000	3.564

<r²>	82.387
(<r²>)^1/2	9.077

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)