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	hartrees
Energy at 0K	-187.571088
Energy at 298.15K	-187.575968
HF Energy	-186.961342
Nuclear repulsion energy	102.667062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3544	3360	0.84
2	A'	3125	2962	11.96
3	A'	2415	2289	0.11
4	A'	1685	1597	18.62
5	A'	1480	1403	4.94
6	A'	1383	1311	16.89
7	A'	1156	1095	12.17
8	A'	992	940	139.15
9	A'	880	834	28.97
10	A'	573	544	8.55
11	A'	213	202	11.59
12	A"	3624	3435	3.00
13	A"	3176	3010	5.00
14	A"	1413	1340	0.20
15	A"	1212	1149	0.04
16	A"	906	859	0.24
17	A"	404	383	17.21
18	A"	286	271	43.66

Atom	x (Å)	y (Å)	z (Å)
N1	-1.458	0.733	0.000
C2	0.000	0.839	0.000
C3	0.724	-0.465	0.000
N4	1.243	-1.507	0.000
H5	-1.745	0.181	0.811
H6	-1.745	0.181	-0.811
H7	0.325	1.408	0.885
H8	0.325	1.408	-0.885

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4616	2.4892	3.5087	1.0218	1.0218	2.1021	2.1021
C2	1.4616		1.4914	2.6545	2.0332	2.0332	1.1016	1.1016
C3	2.4892	1.4914		1.1637	2.6778	2.6778	2.1101	2.1101
N4	3.5087	2.6545	1.1637		3.5263	3.5263	3.1816	3.1816
H5	1.0218	2.0332	2.6778	3.5263		1.6216	2.4077	2.9440
H6	1.0218	2.0332	2.6778	3.5263	1.6216		2.9440	2.4077
H7	2.1021	1.1016	2.1101	3.1816	2.4077	2.9440		1.7700
H8	2.1021	1.1016	2.1101	3.1816	2.9440	2.4077	1.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.895	N1	C2	H7	109.389
N1	C2	H8	109.389	C2	N1	H5	108.616
C2	N1	H6	108.616	C2	C3	N4	177.455
C3	C2	H7	107.981	C3	C2	H8	107.981
H5	N1	H6	105.026	H7	C2	H8	106.901

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)