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	hartrees
Energy at 0K	-130.845348
Energy at 298.15K	-130.847497
HF Energy	-130.845348
Nuclear repulsion energy	58.371806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3740	3303	172.81
2	A'	3604	3183	3.90
3	A'	2482	2191	7.87
4	A'	1809	1598	9.84
5	A'	1108	978	6.88
6	A'	740	654	172.48
7	A'	629	556	40.17
8	A'	429	379	12.20
9	A"	3783	3340	1.06
10	A"	1336	1180	0.31
11	A"	785	693	14.99
12	A"	380	336	1.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	1.378	0.000
C2	0.000	0.177	0.000
N3	0.100	-1.224	0.000
H4	0.016	2.453	0.000
H5	-0.397	-1.610	0.842
H6	-0.397	-1.610	-0.842

	C1	C2	N3	H4	H5	H6
C1		1.2012	2.6035	1.0751	3.1314	3.1314
C2	1.2012		1.4045	2.2763	2.0149	2.0149
N3	2.6035	1.4045		3.6781	1.0511	1.0511
H4	1.0751	2.2763	3.6781		4.1701	4.1701
H5	3.1314	2.0149	1.0511	4.1701		1.6839
H6	3.1314	2.0149	1.0511	4.1701	1.6839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.304	C2	C1	H4	179.573
C2	N3	H5	109.433	C2	N3	H6	109.433
H5	N3	H6	106.455

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: HSEh1PBE/STO-3G

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	-0.161
2	C	0.011
3	N	-0.368
4	H	0.114
5	H	0.202
6	H	0.202

	x	y	z	Total
	-1.578	-0.781	0.000	1.761
CHELPG
AIM
ESP

	x	y	z
x	0.509	0.222	0.000
y	0.222	4.163	0.000
z	0.000	0.000	1.088

<r²>	44.542
(<r²>)^1/2	6.674

All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)