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	hartrees
Energy at 0K	-131.969410
Energy at 298.15K	-131.971284
HF Energy	-131.969410
Nuclear repulsion energy	59.595134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3475	3418	15.78
2	A'	3403	3348	92.90
3	A'	2232	2196	111.79
4	A'	1612	1586	43.09
5	A'	1119	1100	14.57
6	A'	505	497	68.53
7	A'	457	449	262.96
8	A'	296	291	55.48
9	A"	3560	3502	36.61
10	A"	1155	1136	1.59
11	A"	646	636	38.87
12	A"	369	363	11.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	1.363	0.000
C2	0.000	0.154	0.000
N3	0.067	-1.176	0.000
H4	-0.023	2.435	0.000
H5	-0.225	-1.654	0.851
H6	-0.225	-1.654	-0.851

	C1	C2	N3	H4	H5	H6
C1		1.2090	2.5398	1.0720	3.1428	3.1428
C2	1.2090		1.3316	2.2809	2.0107	2.0107
N3	2.5398	1.3316		3.6118	1.0185	1.0185
H4	1.0720	2.2809	3.6118		4.1812	4.1812
H5	3.1428	2.0107	1.0185	4.1812		1.7013
H6	3.1428	2.0107	1.0185	4.1812	1.7013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.089	C2	C1	H4	178.706
C2	N3	H5	117.033	C2	N3	H6	117.033
H5	N3	H6	113.282

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: LSDA/6-311G*

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	-0.209
2	C	0.154
3	N	-0.903
4	H	0.237
5	H	0.361
6	H	0.361

	x	y	z	Total
	-1.034	-1.834	0.000	2.105
CHELPG
AIM
ESP

	x	y	z
x	2.148	0.055	0.000
y	0.055	6.770	0.000
z	0.000	0.000	2.478

<r²>	44.137
(<r²>)^1/2	6.644

All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: LSDA/6-311G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)