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	hartrees
Energy at 0K	-32.642779
Energy at 298.15K	-32.647763
HF Energy	-32.642779
Nuclear repulsion energy	55.950210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3760	3377	2.93
2	A'	3298	2962	25.33
3	A'	2596	2332	6.96
4	A'	1834	1647	32.62
5	A'	1606	1443	4.42
6	A'	1489	1337	34.63
7	A'	1194	1072	17.21
8	A'	1018	914	231.61
9	A'	897	805	27.08
10	A'	613	551	14.63
11	A'	239	215	17.07
12	A"	3853	3460	7.04
13	A"	3353	3011	15.75
14	A"	1500	1347	0.17
15	A"	1294	1162	0.08
16	A"	959	861	0.91
17	A"	424	380	8.61
18	A"	291	262	72.38

Atom	x (Å)	y (Å)	z (Å)
N1	-1.452	0.741	0.000
C2	0.000	0.840	0.000
C3	0.720	-0.487	0.000
N4	1.249	-1.510	0.000
H5	-1.779	0.245	0.812
H6	-1.779	0.245	-0.812
H7	0.328	1.388	0.878
H8	0.328	1.388	-0.878

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4554	2.4953	3.5163	1.0056	1.0056	2.0881	2.0881
C2	1.4554		1.5094	2.6612	2.0434	2.0434	1.0862	1.0862
C3	2.4953	1.5094		1.1520	2.7275	2.7275	2.1072	2.1072
N4	3.5163	2.6612	1.1520		3.5927	3.5927	3.1655	3.1655
H5	1.0056	2.0434	2.7275	3.5927		1.6235	2.3980	2.9328
H6	1.0056	2.0434	2.7275	3.5927	1.6235		2.9328	2.3980
H7	2.0881	1.0862	2.1072	3.1655	2.3980	2.9328		1.7559
H8	2.0881	1.0862	2.1072	3.1655	2.9328	2.3980	1.7559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.620	N1	C2	H7	109.631
N1	C2	H8	109.631	C2	N1	H5	110.937
C2	N1	H6	110.937	C2	C3	N4	178.813
C3	C2	H7	107.435	C3	C2	H8	107.435
H5	N1	H6	107.655	H7	C2	H8	107.857

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: HF/CEP-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	-0.637
2	C	0.022
3	C	-0.631
4	N	0.335
5	H	0.304
6	H	0.304
7	H	0.152
8	H	0.152

	x	y	z	Total
	-1.602	2.067	0.000	2.615
CHELPG
AIM
ESP

	x	y	z
x	4.499	-0.882	0.000
y	-0.882	4.936	0.000
z	0.000	0.000	3.569

<r²>	68.149
(<r²>)^1/2	8.255

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)