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	hartrees
Energy at 0K	-188.151452
Energy at 298.15K	-188.156289
HF Energy	-188.151452
Nuclear repulsion energy	103.210762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3500	3384	1.22
2	A'	3052	2951	12.09
3	A'	2344	2267	2.71
4	A'	1675	1619	25.65
5	A'	1470	1421	7.94
6	A'	1367	1321	8.15
7	A'	1104	1067	15.20
8	A'	923	892	119.57
9	A'	840	813	81.18
10	A'	574	555	9.99
11	A'	218	211	11.32
12	A"	3577	3458	3.56
13	A"	3086	2984	4.95
14	A"	1389	1342	0.05
15	A"	1200	1160	0.06
16	A"	897	867	0.00
17	A"	402	389	12.64
18	A"	276	267	50.22

Atom	x (Å)	y (Å)	z (Å)
N1	-1.456	0.718	0.000
C2	0.000	0.825	0.000
C3	0.727	-0.460	0.000
N4	1.249	-1.489	0.000
H5	-1.773	0.203	0.816
H6	-1.773	0.203	-0.816
H7	0.317	1.398	0.876
H8	0.317	1.398	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4602	2.4808	3.4906	1.0150	1.0150	2.0916	2.0916
C2	1.4602		1.4768	2.6294	2.0482	2.0482	1.0933	1.0933
C3	2.4808	1.4768		1.1533	2.7121	2.7121	2.0944	2.0944
N4	3.4906	2.6294	1.1533		3.5578	3.5578	3.1570	3.1570
H5	1.0150	2.0482	2.7121	3.5578		1.6313	2.4082	2.9421
H6	1.0150	2.0482	2.7121	3.5578	1.6313		2.9421	2.4082
H7	2.0916	1.0933	2.0944	3.1570	2.4082	2.9421		1.7511
H8	2.0916	1.0933	2.0944	3.1570	2.9421	2.4082	1.7511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.277	N1	C2	H7	109.150
N1	C2	H8	109.150	C2	N1	H5	110.394
C2	N1	H6	110.394	C2	C3	N4	177.378
C3	C2	H7	108.236	C3	C2	H8	108.236
H5	N1	H6	106.956	H7	C2	H8	106.428

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B3LYP/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	-0.434
2	C	-0.073
3	C	0.009
4	N	-0.232
5	H	0.204
6	H	0.204
7	H	0.162
8	H	0.162

	x	y	z	Total
	-1.611	2.021	0.000	2.584
CHELPG
AIM
ESP

	x	y	z
x	5.039	-1.000	0.000
y	-1.000	5.424	0.000
z	0.000	0.000	3.799

<r²>	82.908
(<r²>)^1/2	9.105

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)