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	hartrees
Energy at 0K	-187.545784
Energy at 298.15K	-187.550654
HF Energy	-186.942038
Nuclear repulsion energy	103.050022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	3328	1.47
2	A'	3136	2943	8.78
3	A'	2442	2292	0.18
4	A'	1743	1635	29.97
5	A'	1537	1442	7.03
6	A'	1411	1324	10.50
7	A'	1162	1090	15.13
8	A'	989	928	171.29
9	A'	884	829	51.21
10	A'	579	543	10.61
11	A'	215	202	13.87
12	A"	3633	3409	3.98
13	A"	3184	2987	4.01
14	A"	1431	1343	0.06
15	A"	1233	1157	0.01
16	A"	922	865	0.04
17	A"	405	380	17.60
18	A"	283	266	58.29

Atom	x (Å)	y (Å)	z (Å)
N1	-1.454	0.724	0.000
C2	0.000	0.831	0.000
C3	0.722	-0.464	0.000
N4	1.249	-1.496	0.000
H5	-1.763	0.201	0.816
H6	-1.763	0.201	-0.816
H7	0.315	1.400	0.878
H8	0.315	1.400	-0.878

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4579	2.4788	3.4973	1.0169	1.0169	2.0879	2.0879
C2	1.4579		1.4825	2.6409	2.0421	2.0421	1.0932	1.0932
C3	2.4788	1.4825		1.1589	2.6983	2.6983	2.1004	2.1004
N4	3.4973	2.6409	1.1589		3.5516	3.5516	3.1673	3.1673
H5	1.0169	2.0421	2.6983	3.5516		1.6315	2.4001	2.9372
H6	1.0169	2.0421	2.6983	3.5516	1.6315		2.9372	2.4001
H7	2.0879	1.0932	2.1004	3.1673	2.4001	2.9372		1.7569
H8	2.0879	1.0932	2.1004	3.1673	2.9372	2.4001	1.7569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.916	N1	C2	H7	109.022
N1	C2	H8	109.022	C2	N1	H5	109.923
C2	N1	H6	109.923	C2	C3	N4	177.891
C3	C2	H7	108.322	C3	C2	H8	108.322
H5	N1	H6	106.679	H7	C2	H8	106.947

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)