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	hartrees
Energy at 0K	-132.626845
Energy at 298.15K	-132.628685
HF Energy	-132.626845
Nuclear repulsion energy	58.776811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3429	3402	62.48
2	A'	3378	3351	4.91
3	A'	2186	2169	71.26
4	A'	1630	1616	20.77
5	A'	1053	1045	7.75
6	A'	669	664	237.48
7	A'	464	460	40.97
8	A'	260	258	40.83
9	A"	3458	3430	9.24
10	A"	1190	1181	0.05
11	A"	603	598	28.71
12	A"	321	318	3.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.106	1.378	0.000
C2	0.000	0.162	0.000
N3	0.014	-1.206	0.000
H4	0.073	2.448	0.000
H5	-0.403	-1.622	0.839
H6	-0.403	-1.622	-0.839

	C1	C2	N3	H4	H5	H6
C1		1.2209	2.5858	1.0705	3.1568	3.1568
C2	1.2209		1.3679	2.2876	2.0123	2.0123
N3	2.5858	1.3679		3.6547	1.0250	1.0250
H4	1.0705	2.2876	3.6547		4.1833	4.1833
H5	3.1568	2.0123	1.0250	4.1833		1.6773
H6	3.1568	2.0123	1.0250	4.1833	1.6773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.441	C2	C1	H4	173.285
C2	N3	H5	113.704	C2	N3	H6	113.704
H5	N3	H6	109.813

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: BLYP/6-31G*

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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Number	Element	Mulliken
1	C	-0.301
2	C	0.294
3	N	-0.779
4	H	0.142
5	H	0.322
6	H	0.322

	x	y	z	Total
	-1.467	-1.329	0.000	1.979
CHELPG
AIM
ESP

	x	y	z
x	1.784	0.461	0.000
y	0.461	6.524	0.000
z	0.000	0.000	2.248

<r²>	44.881
(<r²>)^1/2	6.699

All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)