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	hartrees
Energy at 0K	-131.392013
Energy at 298.15K	-131.393912
HF Energy	-131.123116
Nuclear repulsion energy	59.426264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3648	3395	43.30
2	A'	3539	3293	72.25
3	A'	2322	2161	93.76
4	A'	1755	1633	55.03
5	A'	1120	1043	24.52
6	A'	596	555	112.09
7	A'	536	499	0.95
8	A'	115	107	455.12
9	A"	3755	3494	45.30
10	A"	1219	1134	8.00
11	A"	830	773	36.28
12	A"	462	430	14.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.373	0.000
C2	0.000	0.165	0.000
N3	-0.000	-1.180	0.000
H4	0.000	2.433	0.000
H5	-0.000	-1.697	0.863
H6	-0.000	-1.697	-0.863

	C1	C2	N3	H4	H5	H6
C1		1.2079	2.5530	1.0604	3.1890	3.1890
C2	1.2079		1.3451	2.2684	2.0523	2.0523
N3	2.5530	1.3451		3.6134	1.0060	1.0060
H4	1.0604	2.2684	3.6134		4.2196	4.2196
H5	3.1890	2.0523	1.0060	4.2196		1.7260
H6	3.1890	2.0523	1.0060	4.2196	1.7260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.996	C2	C1	H4	179.987
C2	N3	H5	120.923	C2	N3	H6	120.923
H5	N3	H6	118.155

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CID/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 HCCNH2 (Ethynamine)

using model chemistry: CID/3-21G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)