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	hartrees
Energy at 0K	-186.954922
Energy at 298.15K	-186.959950
HF Energy	-186.954922
Nuclear repulsion energy	103.956526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3759	3393	4.38
2	A'	3238	2923	15.78
3	A'	2607	2353	4.27
4	A'	1813	1637	31.48
5	A'	1606	1449	4.63
6	A'	1497	1351	18.10
7	A'	1199	1082	16.31
8	A'	998	901	203.74
9	A'	891	804	64.99
10	A'	626	565	11.49
11	A'	242	219	17.35
12	A"	3851	3476	9.74
13	A"	3284	2964	8.82
14	A"	1503	1357	0.02
15	A"	1298	1171	0.04
16	A"	970	876	0.02
17	A"	436	393	6.74
18	A"	302	272	66.48

Atom	x (Å)	y (Å)	z (Å)
N1	-1.439	0.727	0.000
C2	0.000	0.824	0.000
C3	0.716	-0.479	0.000
N4	1.239	-1.487	0.000
H5	-1.775	0.247	0.810
H6	-1.775	0.247	-0.810
H7	0.324	1.379	0.871
H8	0.324	1.379	-0.871

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4421	2.4698	3.4750	0.9996	0.9996	2.0720	2.0720
C2	1.4421		1.4872	2.6225	2.0347	2.0347	1.0827	1.0827
C3	2.4698	1.4872		1.1354	2.7187	2.7187	2.0895	2.0895
N4	3.4750	2.6225	1.1354		3.5710	3.5710	3.1322	3.1322
H5	0.9996	2.0347	2.7187	3.5710		1.6196	2.3861	2.9181
H6	0.9996	2.0347	2.7187	3.5710	1.6196		2.9181	2.3861
H7	2.0720	1.0827	2.0895	3.1322	2.3861	2.9181		1.7423
H8	2.0720	1.0827	2.0895	3.1322	2.9181	2.3861	1.7423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.934	N1	C2	H7	109.479
N1	C2	H8	109.479	C2	N1	H5	111.597
C2	N1	H6	111.597	C2	C3	N4	178.651
C3	C2	H7	107.755	C3	C2	H8	107.755
H5	N1	H6	108.221	H7	C2	H8	107.146

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HF/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	-0.682
2	C	-0.064
3	C	0.269
4	N	-0.457
5	H	0.285
6	H	0.285
7	H	0.182
8	H	0.182

	x	y	z	Total
	-1.655	2.125	0.000	2.693
CHELPG
AIM
ESP

	x	y	z
x	4.306	-0.830	0.000
y	-0.830	4.762	0.000
z	0.000	0.000	3.425

<r²>	82.429
(<r²>)^1/2	9.079

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

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

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)