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	hartrees
Energy at 0K	-187.716816
Energy at 298.15K	-187.721690
HF Energy	-187.010158
Nuclear repulsion energy	103.499030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3583	3345	2.70
2	A'	3137	2929	10.18
3	A'	2442	2280	0.19
4	A'	1695	1582	27.04
5	A'	1503	1403	6.50
6	A'	1417	1323	15.68
7	A'	1147	1071	14.37
8	A'	975	910	141.19
9	A'	870	813	53.52
10	A'	579	540	11.76
11	A'	219	204	13.26
12	A"	3666	3423	5.31
13	A"	3183	2972	4.15
14	A"	1423	1328	0.09
15	A"	1219	1139	0.03
16	A"	919	858	0.55
17	A"	395	369	14.27
18	A"	278	260	51.95

Atom	x (Å)	y (Å)	z (Å)
N1	-1.451	0.722	0.000
C2	0.000	0.825	0.000
C3	0.720	-0.466	0.000
N4	1.247	-1.486	0.000
H5	-1.766	0.210	0.812
H6	-1.766	0.210	-0.812
H7	0.320	1.387	0.875
H8	0.320	1.387	-0.875

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4550	2.4751	3.4866	1.0104	1.0104	2.0846	2.0846
C2	1.4550		1.4783	2.6263	2.0390	2.0390	1.0878	1.0878
C3	2.4751	1.4783		1.1484	2.7016	2.7016	2.0875	2.0875
N4	3.4866	2.6263	1.1484		3.5520	3.5520	3.1430	3.1430
H5	1.0104	2.0390	2.7016	3.5520		1.6247	2.3961	2.9298
H6	1.0104	2.0390	2.7016	3.5520	1.6247		2.9298	2.3961
H7	2.0846	1.0878	2.0875	3.1430	2.3961	2.9298		1.7497
H8	2.0846	1.0878	2.0875	3.1430	2.9298	2.3961	1.7497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.085	N1	C2	H7	109.282
N1	C2	H8	109.282	C2	N1	H5	110.288
C2	N1	H6	110.288	C2	C3	N4	178.148
C3	C2	H7	107.908	C3	C2	H8	107.908
H5	N1	H6	107.021	H7	C2	H8	107.078

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)