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	hartrees
Energy at 0K	-187.685775
Energy at 298.15K	-187.690683
HF Energy	-186.963683
Nuclear repulsion energy	103.290755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3576	3361	5.35
2	A'	3143	2954	6.70
3	A'	2224	2090	1.85
4	A'	1694	1592	24.86
5	A'	1506	1416	6.47
6	A'	1387	1304	9.25
7	A'	1153	1084	11.39
8	A'	969	911	118.84
9	A'	870	818	68.07
10	A'	584	549	6.53
11	A'	227	213	13.11
12	A"	3672	3451	11.68
13	A"	3199	3006	1.15
14	A"	1419	1333	0.03
15	A"	1222	1149	0.07
16	A"	911	856	0.00
17	A"	419	393	6.96
18	A"	285	268	55.49

Atom	x (Å)	y (Å)	z (Å)
N1	-1.450	0.719	0.000
C2	0.000	0.828	0.000
C3	0.714	-0.453	0.000
N4	1.248	-1.494	0.000
H5	-1.749	0.189	0.809
H6	-1.749	0.189	-0.809
H7	0.313	1.397	0.875
H8	0.313	1.397	-0.875

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4541	2.4610	3.4896	1.0123	1.0123	2.0819	2.0819
C2	1.4541		1.4672	2.6366	2.0307	2.0307	1.0893	1.0893
C3	2.4610	1.4672		1.1698	2.6712	2.6712	2.0854	2.0854
N4	3.4896	2.6366	1.1698		3.5318	3.5318	3.1616	3.1616
H5	1.0123	2.0307	2.6712	3.5318		1.6179	2.3912	2.9238
H6	1.0123	2.0307	2.6712	3.5318	1.6179		2.9238	2.3912
H7	2.0819	1.0893	2.0854	3.1616	2.3912	2.9238		1.7497
H8	2.0819	1.0893	2.0854	3.1616	2.9238	2.3912	1.7497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.800	N1	C2	H7	109.036
N1	C2	H8	109.036	C2	N1	H5	109.536
C2	N1	H6	109.536	C2	C3	N4	178.065
C3	C2	H7	108.412	C3	C2	H8	108.412
H5	N1	H6	106.092	H7	C2	H8	106.854

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)