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	hartrees
Energy at 0K	-131.818708
Energy at 298.15K	-131.820994
HF Energy	-131.818708
Nuclear repulsion energy	59.669518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3863	3476	58.10
2	A'	3696	3326	91.56
3	A'	2380	2142	144.95
4	A'	1805	1624	67.28
5	A'	1160	1043	24.78
6	A'	667	600	179.45
7	A'	550	495	7.39
8	A'	374	336	481.96
9	A"	4007	3606	67.52
10	A"	1260	1134	6.65
11	A"	881	793	54.68
12	A"	428	385	22.93

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	1.369	0.000
C2	0.000	0.167	0.000
N3	0.006	-1.180	0.000
H4	-0.008	2.420	0.000
H5	0.006	-1.685	0.854
H6	0.006	-1.685	-0.854

	C1	C2	N3	H4	H5	H6
C1		1.2022	2.5492	1.0514	3.1714	3.1714
C2	1.2022		1.3471	2.2535	2.0394	2.0394
N3	2.5492	1.3471		3.6006	0.9919	0.9919
H4	1.0514	2.2535	3.6006		4.1935	4.1935
H5	3.1714	2.0394	0.9919	4.1935		1.7073
H6	3.1714	2.0394	0.9919	4.1935	1.7073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.890	C2	C1	H4	179.659
C2	N3	H5	120.612	C2	N3	H6	120.612
H5	N3	H6	118.775

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: HF/LANL2DZ

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	-0.428
2	C	0.227
3	N	-0.811
4	H	0.267
5	H	0.372
6	H	0.372

	x	y	z	Total
	0.009	-1.651	0.000	1.651
CHELPG
AIM
ESP

	x	y	z
x	1.677	-0.027	0.000
y	-0.027	6.137	0.000
z	0.000	0.000	1.955

<r²>	44.523
(<r²>)^1/2	6.673

All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)