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	hartrees
Energy at 0K	-187.532897
Energy at 298.15K	-187.537732
HF Energy	-186.938333
Nuclear repulsion energy	102.661004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3531	3327	2.44
2	A'	3134	2953	8.69
3	A'	2207	2080	3.51
4	A'	1732	1631	29.49
5	A'	1535	1446	6.94
6	A'	1403	1322	9.50
7	A'	1155	1088	15.91
8	A'	975	918	164.93
9	A'	875	825	56.69
10	A'	568	535	10.45
11	A'	208	196	12.51
12	A"	3631	3421	6.26
13	A"	3189	3005	3.43
14	A"	1425	1343	0.05
15	A"	1228	1157	0.02
16	A"	918	865	0.02
17	A"	401	378	24.02
18	A"	279	263	51.59

Atom	x (Å)	y (Å)	z (Å)
N1	-1.454	0.724	0.000
C2	0.000	0.835	0.000
C3	0.723	-0.454	0.000
N4	1.249	-1.510	0.000
H5	-1.761	0.199	0.817
H6	-1.761	0.199	-0.817
H7	0.309	1.408	0.878
H8	0.309	1.408	-0.878

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4585	2.4750	3.5067	1.0180	1.0180	2.0857	2.0857
C2	1.4585		1.4781	2.6573	2.0428	2.0428	1.0933	1.0933
C3	2.4750	1.4781		1.1800	2.6948	2.6948	2.0999	2.0999
N4	3.5067	2.6573	1.1800		3.5563	3.5563	3.1891	3.1891
H5	1.0180	2.0428	2.6948	3.5563		1.6330	2.3986	2.9363
H6	1.0180	2.0428	2.6948	3.5563	1.6330		2.9363	2.3986
H7	2.0857	1.0933	2.0999	3.1891	2.3986	2.9363		1.7567
H8	2.0857	1.0933	2.0999	3.1891	2.9363	2.3986	1.7567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.883	N1	C2	H7	108.804
N1	C2	H8	108.804	C2	N1	H5	109.880
C2	N1	H6	109.880	C2	C3	N4	177.205
C3	C2	H7	108.576	C3	C2	H8	108.576
H5	N1	H6	106.657	H7	C2	H8	106.912

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2=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: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)