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	hartrees
Energy at 0K	-187.797348
Energy at 298.15K	-187.802198
HF Energy	-187.013062
Nuclear repulsion energy	103.478075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3560	3380	5.15
2	A'	3126	2968	8.27
3	A'	2212	2101	1.58
4	A'	1677	1592	22.98
5	A'	1496	1420	6.28
6	A'	1379	1309	9.32
7	A'	1139	1081	12.45
8	A'	956	908	102.99
9	A'	857	814	78.97
10	A'	572	543	8.60
11	A'	216	206	11.71
12	A"	3650	3465	11.09
13	A"	3161	3001	1.56
14	A"	1405	1334	0.04
15	A"	1212	1151	0.05
16	A"	900	854	0.04
17	A"	393	373	12.55
18	A"	276	262	46.21

Atom	x (Å)	y (Å)	z (Å)
N1	-1.446	0.718	0.000
C2	0.000	0.827	0.000
C3	0.716	-0.453	0.000
N4	1.244	-1.494	0.000
H5	-1.753	0.199	0.809
H6	-1.753	0.199	-0.809
H7	0.315	1.392	0.870
H8	0.315	1.392	-0.870

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4505	2.4590	3.4828	1.0094	1.0094	2.0770	2.0770
C2	1.4505		1.4664	2.6328	2.0303	2.0303	1.0847	1.0847
C3	2.4590	1.4664		1.1670	2.6783	2.6783	2.0794	2.0794
N4	3.4828	2.6328	1.1670		3.5353	3.5353	3.1544	3.1544
H5	1.0094	2.0303	2.6783	3.5353		1.6187	2.3882	2.9192
H6	1.0094	2.0303	2.6783	3.5353	1.6187		2.9192	2.3882
H7	2.0770	1.0847	2.0794	3.1544	2.3882	2.9192		1.7410
H8	2.0770	1.0847	2.0794	3.1544	2.9192	2.3882	1.7410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.921	N1	C2	H7	109.169
N1	C2	H8	109.169	C2	N1	H5	109.948
C2	N1	H6	109.948	C2	C3	N4	177.693
C3	C2	H7	108.265	C3	C2	H8	108.265
H5	N1	H6	106.603	H7	C2	H8	106.741

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)