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	hartrees
Energy at 0K	-132.429077
Energy at 298.15K	-132.431322
HF Energy	-131.902147
Nuclear repulsion energy	59.425667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3587	3349	18.66
2	A'	3511	3278	82.82
3	A'	2272	2122	86.99
4	A'	1670	1559	26.46
5	A'	1074	1003	12.02
6	A'	719	672	199.34
7	A'	539	503	89.20
8	A'	434	405	10.81
9	A"	3677	3433	32.44
10	A"	1238	1156	0.50
11	A"	691	645	39.24
12	A"	370	345	5.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.041	1.365	0.000
C2	0.000	0.164	0.000
N3	0.123	-1.194	0.000
H4	-0.087	2.424	0.000
H5	-0.265	-1.619	0.826
H6	-0.265	-1.619	-0.826

	C1	C2	N3	H4	H5	H6
C1		1.2020	2.5640	1.0596	3.1041	3.1041
C2	1.2020		1.3631	2.2615	1.9825	1.9825
N3	2.5640	1.3631		3.6235	1.0073	1.0073
H4	1.0596	2.2615	3.6235		4.1298	4.1298
H5	3.1041	1.9825	1.0073	4.1298		1.6528
H6	3.1041	1.9825	1.0073	4.1298	1.6528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.766	C2	C1	H4	179.502
C2	N3	H5	112.653	C2	N3	H6	112.653
H5	N3	H6	110.252

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)