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	hartrees
Energy at 0K	-186.300358
Energy at 298.15K	-186.305255
HF Energy	-185.892699
Nuclear repulsion energy	101.489267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3449	3281	0.35
2	A'	3117	2965	9.32
3	A'	2124	2020	10.85
4	A'	1763	1677	19.97
5	A'	1567	1491	8.17
6	A'	1412	1343	0.91
7	A'	1100	1047	29.91
8	A'	874	831	62.14
9	A'	775	737	173.02
10	A'	586	558	15.80
11	A'	228	216	10.12
12	A"	3553	3380	1.08
13	A"	3162	3008	4.57
14	A"	1429	1359	0.30
15	A"	1263	1201	0.01
16	A"	916	871	0.06
17	A"	437	416	20.12
18	A"	308	293	57.50

Atom	x (Å)	y (Å)	z (Å)
N1	-1.484	0.711	0.000
C2	0.000	0.840	0.000
C3	0.742	-0.453	0.000
N4	1.283	-1.512	0.000
H5	-1.815	0.225	0.837
H6	-1.815	0.225	-0.837
H7	0.293	1.416	0.883
H8	0.293	1.416	-0.883

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4897	2.5119	3.5485	1.0221	1.0221	2.1059	2.1059
C2	1.4897		1.4910	2.6789	2.0907	2.0907	1.0942	1.0942
C3	2.5119	1.4910		1.1886	2.7744	2.7744	2.1152	2.1152
N4	3.5485	2.6789	1.1886		3.6483	3.6483	3.2139	3.2139
H5	1.0221	2.0907	2.7744	3.6483		1.6734	2.4209	2.9694
H6	1.0221	2.0907	2.7744	3.6483	1.6734		2.9694	2.4209
H7	2.1059	1.0942	2.1152	3.2139	2.4209	2.9694		1.7666
H8	2.1059	1.0942	2.1152	3.2139	2.9694	2.4209	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.855	N1	C2	H7	108.207
N1	C2	H8	108.207	C2	N1	H5	111.320
C2	N1	H6	111.320	C2	C3	N4	177.193
C3	C2	H7	108.843	C3	C2	H8	108.843
H5	N1	H6	109.891	H7	C2	H8	107.660

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)