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	hartrees
Energy at 0K	-186.802574
Energy at 298.15K	-186.807473
HF Energy	-186.662059
Nuclear repulsion energy	102.228433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3449	3449	0.45
2	A'	3105	3105	9.32
3	A'	2253	2253	1.54
4	A'	1745	1745	20.31
5	A'	1547	1547	10.52
6	A'	1405	1405	0.52
7	A'	1090	1090	21.35
8	A'	877	877	38.52
9	A'	726	726	214.32
10	A'	601	601	22.31
11	A'	233	233	10.02
12	A"	3551	3551	1.54
13	A"	3146	3146	3.92
14	A"	1421	1421	0.26
15	A"	1256	1256	0.00
16	A"	912	912	0.00
17	A"	449	449	14.34
18	A"	306	306	61.70

Atom	x (Å)	y (Å)	z (Å)
N1	-1.473	0.700	0.000
C2	0.000	0.833	0.000
C3	0.739	-0.451	0.000
N4	1.273	-1.495	0.000
H5	-1.814	0.227	0.838
H6	-1.814	0.227	-0.838
H7	0.296	1.409	0.881
H8	0.296	1.409	-0.881

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4787	2.4934	3.5149	1.0206	1.0206	2.0990	2.0990
C2	1.4787		1.4818	2.6537	2.0877	2.0877	1.0928	1.0928
C3	2.4934	1.4818		1.1727	2.7712	2.7712	2.1049	2.1049
N4	3.5149	2.6537	1.1727		3.6323	3.6323	3.1881	3.1881
H5	1.0206	2.0877	2.7712	3.6323		1.6760	2.4181	2.9663
H6	1.0206	2.0877	2.7712	3.6323	1.6760		2.9663	2.4181
H7	2.0990	1.0928	2.1049	3.1881	2.4181	2.9663		1.7611
H8	2.0990	1.0928	2.1049	3.1881	2.9663	2.4181	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.749	N1	C2	H7	108.493
N1	C2	H8	108.493	C2	N1	H5	111.991
C2	N1	H6	111.991	C2	C3	N4	177.104
C3	C2	H7	108.745	C3	C2	H8	108.745
H5	N1	H6	110.391	H7	C2	H8	107.376

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B2PLYP=FULL/3-21G*

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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All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)