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	hartrees
Energy at 0K	-132.571874
Energy at 298.15K
HF Energy	-132.421411
Nuclear repulsion energy	59.020766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3543	3410	13.05
2	A'	3506	3374	93.38
3	A'	2215	2132	116.34
4	A'	1630	1569	23.93
5	A'	1072	1032	14.62
6	A'	626	603	177.60
7	A'	476	458	99.16
8	A'	352	339	15.48
9	A"	3639	3502	37.79
10	A"	1197	1152	0.63
11	A"	628	605	44.20
12	A"	326	313	5.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.009	1.378	0.000
C2	0.000	0.159	0.000
N3	0.076	-1.200	0.000
H4	0.003	2.446	0.000
H5	-0.296	-1.636	0.836
H6	-0.296	-1.636	-0.836

	C1	C2	N3	H4	H5	H6
C1		1.2199	2.5788	1.0678	3.1430	3.1430
C2	1.2199		1.3603	2.2876	2.0018	2.0018
N3	2.5788	1.3603		3.6465	1.0139	1.0139
H4	1.0678	2.2876	3.6465		4.1776	4.1776
H5	3.1430	2.0018	1.0139	4.1776		1.6727
H6	3.1430	2.0018	1.0139	4.1776	1.6727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.359	C2	C1	H4	179.227
C2	N3	H5	114.153	C2	N3	H6	114.153
H5	N3	H6	111.144

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULLultrafine/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 HCCNH2 (Ethynamine)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)