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	hartrees
Energy at 0K	-187.654006
Energy at 298.15K	-187.658757
HF Energy	-186.970825
Nuclear repulsion energy	101.980004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3472	3372
2	A'	3068	2980
3	A'	2242	2177
4	A'	1654	1607
5	A'	1458	1416
6	A'	1345	1306
7	A'	1112	1080
8	A'	937	910
9	A'	838	814
10	A'	548	533
11	A'	205	199
12	A"	3560	3458
13	A"	3118	3028
14	A"	1378	1338
15	A"	1185	1151
16	A"	884	858
17	A"	372	362
18	A"	258	250

Atom	x (Å)	y (Å)	z (Å)
N1	-1.466	0.737	0.000
C2	0.000	0.841	0.000
C3	0.727	-0.467	0.000
N4	1.258	-1.520	0.000
H5	-1.774	0.206	0.817
H6	-1.774	0.206	-0.817
H7	0.321	1.410	0.888
H8	0.321	1.410	-0.888

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4696	2.5021	3.5373	1.0225	1.0225	2.1057	2.1057
C2	1.4696		1.4970	2.6751	2.0543	2.0543	1.1025	1.1025
C3	2.5021	1.4970		1.1786	2.7163	2.7163	2.1164	2.1164
N4	3.5373	2.6751	1.1786		3.5832	3.5832	3.2017	3.2017
H5	1.0225	2.0543	2.7163	3.5832		1.6345	2.4176	2.9578
H6	1.0225	2.0543	2.7163	3.5832	1.6345		2.9578	2.4176
H7	2.1057	1.1025	2.1164	3.2017	2.4176	2.9578		1.7766
H8	2.1057	1.1025	2.1164	3.2017	2.9578	2.4176	1.7766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.000	N1	C2	H7	109.065
N1	C2	H8	109.065	C2	N1	H5	109.735
C2	N1	H6	109.735	C2	C3	N4	177.708
C3	C2	H7	108.046	C3	C2	H8	108.046
H5	N1	H6	106.117	H7	C2	H8	107.356

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)