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	hartrees
Energy at 0K	-187.603515
Energy at 298.15K	-187.608285
HF Energy	-186.969669
Nuclear repulsion energy	102.169606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3514	3406	4.18
2	A'	3108	3012	9.31
3	A'	2155	2089	2.62
4	A'	1653	1602	22.51
5	A'	1465	1420	5.46
6	A'	1350	1308	12.72
7	A'	1123	1089	12.65
8	A'	942	913	92.93
9	A'	842	816	69.11
10	A'	556	539	10.04
11	A'	206	200	11.97
12	A"	3612	3501	10.37
13	A"	3165	3067	2.09
14	A"	1382	1340	0.06
15	A"	1191	1154	0.02
16	A"	891	863	0.15
17	A"	376	365	12.55
18	A"	260	252	46.02

Atom	x (Å)	y (Å)	z (Å)
N1	-1.460	0.733	0.000
C2	0.000	0.838	0.000
C3	0.723	-0.460	0.000
N4	1.257	-1.519	0.000
H5	-1.773	0.208	0.816
H6	-1.773	0.208	-0.816
H7	0.317	1.409	0.885
H8	0.317	1.409	-0.885

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4640	2.4880	3.5293	1.0198	1.0198	2.0971	2.0971
C2	1.4640		1.4856	2.6714	2.0511	2.0511	1.0993	1.0993
C3	2.4880	1.4856		1.1864	2.7097	2.7097	2.1067	2.1067
N4	3.5293	2.6714	1.1864		3.5817	3.5817	3.1997	3.1997
H5	1.0198	2.0511	2.7097	3.5817		1.6324	2.4115	2.9501
H6	1.0198	2.0511	2.7097	3.5817	1.6324		2.9501	2.4115
H7	2.0971	1.0993	2.1067	3.1997	2.4115	2.9501		1.7692
H8	2.0971	1.0993	2.1067	3.1997	2.9501	2.4115	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.017	N1	C2	H7	108.958
N1	C2	H8	108.958	C2	N1	H5	110.047
C2	N1	H6	110.047	C2	C3	N4	177.608
C3	C2	H7	108.239	C3	C2	H8	108.239
H5	N1	H6	106.329	H7	C2	H8	107.154

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)