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	hartrees
Energy at 0K	-186.802575
Energy at 298.15K
HF Energy	-186.662056
Nuclear repulsion energy	102.230732

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	9.30
3	A'	2253	2253	1.53
4	A'	1745	1745	20.29
5	A'	1547	1547	10.52
6	A'	1405	1405	0.52
7	A'	1090	1090	21.43
8	A'	877	877	38.45
9	A'	725	725	213.96
10	A'	601	601	22.19
11	A'	234	234	10.05
12	A"	3551	3551	1.53
13	A"	3146	3146	3.91
14	A"	1421	1421	0.26
15	A"	1256	1256	0.00
16	A"	911	911	0.00
17	A"	449	449	14.24
18	A"	305	305	61.85

Atom	x (Å)	y (Å)	z (Å)
N1	-1.473	0.699	0.000
C2	0.000	0.834	0.000
C3	0.740	-0.450	0.000
N4	1.272	-1.495	0.000
H5	-1.813	0.226	0.838
H6	-1.813	0.226	-0.838
H7	0.295	1.409	0.881
H8	0.295	1.409	-0.881

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4790	2.4931	3.5142	1.0206	1.0206	2.0992	2.0992
C2	1.4790		1.4816	2.6535	2.0877	2.0877	1.0928	1.0928
C3	2.4931	1.4816		1.1727	2.7705	2.7705	2.1049	2.1049
N4	3.5142	2.6535	1.1727		3.6310	3.6310	3.1882	3.1882
H5	1.0206	2.0877	2.7705	3.6310		1.6759	2.4182	2.9663
H6	1.0206	2.0877	2.7705	3.6310	1.6759		2.9663	2.4182
H7	2.0992	1.0928	2.1049	3.1882	2.4182	2.9663		1.7611
H8	2.0992	1.0928	2.1049	3.1882	2.9663	2.4182	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.725	N1	C2	H7	108.490
N1	C2	H8	108.490	C2	N1	H5	111.975
C2	N1	H6	111.975	C2	C3	N4	177.072
C3	C2	H7	108.758	C3	C2	H8	108.758
H5	N1	H6	110.378	H7	C2	H8	107.380

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

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

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)