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	hartrees
Energy at 0K	-187.945764
Energy at 298.15K
HF Energy	-187.734904
Nuclear repulsion energy	102.620709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3381	3.67
2	A'	3091	2974	10.09
3	A'	2258	2173	0.17
4	A'	1660	1597	22.59
5	A'	1461	1406	6.07
6	A'	1351	1300	12.06
7	A'	1113	1071	13.41
8	A'	930	895	98.09
9	A'	836	805	71.56
10	A'	562	541	10.24
11	A'	211	203	11.90
12	A"	3601	3465	8.43
13	A"	3138	3020	2.56
14	A"	1382	1330	0.02
15	A"	1191	1146	0.02
16	A"	892	859	0.03
17	A"	380	366	9.56
18	A"	260	250	47.84

Atom	x (Å)	y (Å)	z (Å)
N1	-1.457	0.729	0.000
C2	0.000	0.832	0.000
C3	0.723	-0.463	0.000
N4	1.255	-1.506	0.000
H5	-1.780	0.215	0.816
H6	-1.780	0.215	-0.816
H7	0.319	1.401	0.882
H8	0.319	1.401	-0.882

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4609	2.4854	3.5142	1.0172	1.0172	2.0939	2.0939
C2	1.4609		1.4834	2.6534	2.0528	2.0528	1.0974	1.0974
C3	2.4854	1.4834		1.1704	2.7188	2.7188	2.1020	2.1020
N4	3.5142	2.6534	1.1704		3.5826	3.5826	3.1793	3.1793
H5	1.0172	2.0528	2.7188	3.5826		1.6330	2.4112	2.9488
H6	1.0172	2.0528	2.7188	3.5826	1.6330		2.9488	2.4112
H7	2.0939	1.0974	2.1020	3.1793	2.4112	2.9488		1.7646
H8	2.0939	1.0974	2.1020	3.1793	2.9488	2.4112	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.152	N1	C2	H7	109.039
N1	C2	H8	109.039	C2	N1	H5	110.587
C2	N1	H6	110.587	C2	C3	N4	177.793
C3	C2	H7	108.143	C3	C2	H8	108.143
H5	N1	H6	106.781	H7	C2	H8	107.028

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)