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	hartrees
Energy at 0K	-32.554209
Energy at 298.15K	-32.559047
HF Energy	-32.554209
Nuclear repulsion energy	55.614071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3823	3446	5.77
2	A'	3291	2967	30.57
3	A'	2495	2249	2.55
4	A'	1831	1650	42.45
5	A'	1619	1459	10.85
6	A'	1502	1354	13.10
7	A'	1203	1084	42.37
8	A'	941	848	97.89
9	A'	655	590	171.43
10	A'	590	532	251.16
11	A'	243	219	15.27
12	A"	3960	3570	15.00
13	A"	3350	3020	19.28
14	A"	1477	1332	0.07
15	A"	1289	1162	2.32
16	A"	961	866	0.41
17	A"	412	372	5.46
18	A"	266	240	61.94

Atom	x (Å)	y (Å)	z (Å)
N1	-1.451	0.727	0.000
C2	0.000	0.829	0.000
C3	0.727	-0.496	0.000
N4	1.274	-1.521	0.000
H5	-1.883	0.399	0.840
H6	-1.883	0.399	-0.840
H7	0.324	1.382	0.875
H8	0.324	1.382	-0.875

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4550	2.4980	3.5333	0.9997	0.9997	2.0852	2.0852
C2	1.4550		1.5113	2.6735	2.1062	2.1062	1.0848	1.0848
C3	2.4980	1.5113		1.1622	2.8836	2.8836	2.1108	2.1108
N4	3.5333	2.6735	1.1622		3.7892	3.7892	3.1778	3.1778
H5	0.9997	2.1062	2.8836	3.7892		1.6793	2.4170	2.9632
H6	0.9997	2.1062	2.8836	3.7892	1.6793		2.9632	2.4170
H7	2.0852	1.0848	2.1108	3.1778	2.4170	2.9632		1.7498
H8	2.0852	1.0848	2.1108	3.1778	2.9632	2.4170	1.7498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.720	N1	C2	H7	109.513
N1	C2	H8	109.513	C2	N1	H5	116.981
C2	N1	H6	116.981	C2	C3	N4	179.367
C3	C2	H7	107.663	C3	C2	H8	107.663
H5	N1	H6	114.269	H7	C2	H8	107.516

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	-0.639
2	C	-0.031
3	C	-0.577
4	N	0.335
5	H	0.298
6	H	0.298
7	H	0.159
8	H	0.159

	x	y	z	Total
	-1.948	2.477	0.000	3.151
CHELPG
AIM
ESP

	x	y	z
x	4.320	-0.952	0.000
y	-0.952	4.671	0.000
z	0.000	0.000	3.356

<r²>	69.629
(<r²>)^1/2	8.344

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)