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	hartrees
Energy at 0K	-131.948716
Energy at 298.15K	-131.950489
HF Energy	-131.948716
Nuclear repulsion energy	59.289614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3497	3445	29.04
2	A'	3422	3371	116.19
3	A'	2224	2190	155.82
4	A'	1564	1540	41.39
5	A'	1122	1105	20.26
6	A'	489	482	3.31
7	A'	408	402	328.01
8	A'	281	276	66.07
9	A"	3597	3543	66.81
10	A"	1116	1099	1.73
11	A"	630	620	57.14
12	A"	359	353	9.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.029	1.373	0.000
C2	0.000	0.153	0.000
N3	0.084	-1.180	0.000
H4	-0.069	2.446	0.000
H5	-0.171	-1.671	0.856
H6	-0.171	-1.671	-0.856

	C1	C2	N3	H4	H5	H6
C1		1.2196	2.5550	1.0743	3.1651	3.1651
C2	1.2196		1.3359	2.2939	2.0227	2.0227
N3	2.5550	1.3359		3.6293	1.0194	1.0194
H4	1.0743	2.2939	3.6293		4.2068	4.2068
H5	3.1651	2.0227	1.0194	4.2068		1.7121
H6	3.1651	2.0227	1.0194	4.2068	1.7121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.780	C2	C1	H4	179.280
C2	N3	H5	117.731	C2	N3	H6	117.731
H5	N3	H6	114.219

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: LSDA/6-31+G**

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	0.131
2	C	-0.277
3	N	-0.739
4	H	0.218
5	H	0.333
6	H	0.333

	x	y	z	Total
	-0.875	-1.859	0.000	2.054
CHELPG
AIM
ESP

	x	y	z
x	3.072	-0.111	0.000
y	-0.111	7.625	0.000
z	0.000	0.000	2.916

<r²>	44.834
(<r²>)^1/2	6.696

All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)