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	hartrees
Energy at 0K	-33.236570
Energy at 298.15K	-33.241346
HF Energy	-32.650780
Nuclear repulsion energy	55.457482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3510	3345	1.20
2	A'	3119	2972	12.93
3	A'	2127	2027	4.27
4	A'	1727	1646	35.16
5	A'	1512	1441	7.47
6	A'	1385	1320	15.88
7	A'	1133	1080	20.10
8	A'	974	928	183.62
9	A'	859	819	25.23
10	A'	551	525	13.51
11	A'	202	192	11.51
12	A"	3611	3440	3.72
13	A"	3182	3032	5.44
14	A"	1412	1345	0.18
15	A"	1212	1155	0.00
16	A"	905	862	0.56
17	A"	379	361	30.11
18	A"	266	253	43.64

Atom	x (Å)	y (Å)	z (Å)
N1	-1.468	0.731	0.000
C2	0.000	0.847	0.000
C3	0.730	-0.459	0.000
N4	1.257	-1.523	0.000
H5	-1.763	0.197	0.818
H6	-1.763	0.197	-0.818
H7	0.311	1.412	0.883
H8	0.311	1.412	-0.883

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4724	2.4992	3.5357	1.0204	1.0204	2.0997	2.0997
C2	1.4724		1.4959	2.6819	2.0495	2.0495	1.0935	1.0935
C3	2.4992	1.4959		1.1869	2.7051	2.7051	2.1106	2.1106
N4	3.5357	2.6819	1.1869		3.5707	3.5707	3.2068	3.2068
H5	1.0204	2.0495	2.7051	3.5707		1.6362	2.4050	2.9449
H6	1.0204	2.0495	2.7051	3.5707	1.6362		2.9449	2.4050
H7	2.0997	1.0935	2.1106	3.2068	2.4050	2.9449		1.7655
H8	2.0997	1.0935	2.1106	3.2068	2.9449	2.4050	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.699	N1	C2	H7	108.940
N1	C2	H8	108.940	C2	N1	H5	109.266
C2	N1	H6	109.266	C2	C3	N4	177.138
C3	C2	H7	108.188	C3	C2	H8	108.188
H5	N1	H6	106.599	H7	C2	H8	107.667

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)