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	hartrees
Energy at 0K	-187.266147
Energy at 298.15K	-187.270850
HF Energy	-186.854504
Nuclear repulsion energy	101.909173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3577	3577	1.82
2	A'	3081	3081	13.86
3	A'	2366	2366	0.02
4	A'	1763	1763	30.22
5	A'	1540	1540	8.50
6	A'	1414	1414	3.51
7	A'	1122	1122	20.26
8	A'	903	903	74.18
9	A'	725	725	262.93
10	A'	556	556	33.50
11	A'	195	195	10.32
12	A"	3689	3689	4.79
13	A"	3123	3123	7.63
14	A"	1411	1411	0.07
15	A"	1229	1229	0.64
16	A"	910	910	0.01
17	A"	381	381	31.43
18	A"	259	259	43.54

Atom	x (Å)	y (Å)	z (Å)
N1	-1.465	0.717	0.000
C2	0.000	0.831	0.000
C3	0.741	-0.470	0.000
N4	1.272	-1.516	0.000
H5	-1.855	0.307	0.842
H6	-1.855	0.307	-0.842
H7	0.308	1.409	0.882
H8	0.308	1.409	-0.882

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4699	2.5057	3.5327	1.0137	1.0137	2.0977	2.0977
C2	1.4699		1.4972	2.6696	2.1028	2.1028	1.0985	1.0985
C3	2.5057	1.4972		1.1732	2.8374	2.8374	2.1203	2.1203
N4	3.5327	2.6696	1.1732		3.7159	3.7159	3.2038	3.2038
H5	1.0137	2.1028	2.8374	3.7159		1.6834	2.4268	2.9765
H6	1.0137	2.1028	2.8374	3.7159	1.6834		2.9765	2.4268
H7	2.0977	1.0985	2.1203	3.2038	2.4268	2.9765		1.7643
H8	2.0977	1.0985	2.1203	3.2038	2.9765	2.4268	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.235	N1	C2	H7	108.657
N1	C2	H8	108.657	C2	N1	H5	114.457
C2	N1	H6	114.457	C2	C3	N4	177.199
C3	C2	H7	108.570	C3	C2	H8	108.570
H5	N1	H6	112.261	H7	C2	H8	106.836

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)