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	hartrees
Energy at 0K	-131.937411
Energy at 298.15K	-131.939178
HF Energy	-131.937411
Nuclear repulsion energy	59.326939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3481	3416	13.78
2	A'	3435	3371	102.96
3	A'	2244	2202	90.93
4	A'	1566	1537	33.17
5	A'	1121	1100	13.54
6	A'	532	522	149.19
7	A'	461	452	162.95
8	A'	236	232	48.48
9	A"	3577	3510	38.92
10	A"	1131	1110	1.19
11	A"	609	598	36.43
12	A"	347	340	4.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.031	1.370	0.000
C2	0.000	0.153	0.000
N3	0.099	-1.182	0.000
H4	-0.088	2.441	0.000
H5	-0.212	-1.654	0.849
H6	-0.212	-1.654	-0.849

	C1	C2	N3	H4	H5	H6
C1		1.2173	2.5550	1.0728	3.1465	3.1465
C2	1.2173		1.3385	2.2899	2.0081	2.0081
N3	2.5550	1.3385		3.6279	1.0202	1.0202
H4	1.0728	2.2899	3.6279		4.1847	4.1847
H5	3.1465	2.0081	1.0202	4.1847		1.6977
H6	3.1465	2.0081	1.0202	4.1847	1.6977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.192	C2	C1	H4	178.420
C2	N3	H5	116.071	C2	N3	H6	116.071
H5	N3	H6	112.617

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: LSDA/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	-0.283
2	C	0.277
3	N	-0.765
4	H	0.163
5	H	0.304
6	H	0.304

	x	y	z	Total
	-1.083	-1.727	0.000	2.038
CHELPG
AIM
ESP

	x	y	z
x	1.711	-0.040	0.000
y	-0.040	6.584	0.000
z	0.000	0.000	2.232

<r²>	44.151
(<r²>)^1/2	6.645

All results from a given calculation for HCCNH2 (Ethynamine)

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

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)