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	hartrees
Energy at 0K	-187.568435
Energy at 298.15K	-187.573279
HF Energy	-186.949265
Nuclear repulsion energy	102.817653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3591	3355	2.04
2	A'	3160	2953	10.70
3	A'	2209	2064	3.86
4	A'	1711	1599	25.38
5	A'	1529	1429	4.99
6	A'	1403	1311	11.94
7	A'	1152	1077	13.36
8	A'	968	904	144.67
9	A'	870	813	65.30
10	A'	567	530	10.39
11	A'	209	195	12.28
12	A"	3694	3452	5.38
13	A"	3219	3008	4.28
14	A"	1423	1330	0.05
15	A"	1224	1144	0.01
16	A"	914	854	0.13
17	A"	401	375	22.15
18	A"	280	262	48.65

Atom	x (Å)	y (Å)	z (Å)
N1	-1.452	0.726	0.000
C2	0.000	0.835	0.000
C3	0.721	-0.454	0.000
N4	1.247	-1.511	0.000
H5	-1.756	0.202	0.812
H6	-1.756	0.202	-0.812
H7	0.312	1.403	0.875
H8	0.312	1.403	-0.875

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4563	2.4731	3.5053	1.0127	1.0127	2.0818	2.0818
C2	1.4563		1.4773	2.6564	2.0351	2.0351	1.0885	1.0885
C3	2.4731	1.4773		1.1798	2.6878	2.6878	2.0933	2.0933
N4	3.5053	2.6564	1.1798		3.5508	3.5508	3.1824	3.1824
H5	1.0127	2.0351	2.6878	3.5508		1.6238	2.3912	2.9256
H6	1.0127	2.0351	2.6878	3.5508	1.6238		2.9256	2.3912
H7	2.0818	1.0885	2.0933	3.1824	2.3912	2.9256		1.7498
H8	2.0818	1.0885	2.0933	3.1824	2.9256	2.3912	1.7498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.925	N1	C2	H7	108.928
N1	C2	H8	108.928	C2	N1	H5	109.726
C2	N1	H6	109.726	C2	C3	N4	177.253
C3	C2	H7	108.394	C3	C2	H8	108.394
H5	N1	H6	106.586	H7	C2	H8	106.987

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)