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	hartrees
Energy at 0K	-22.271913
Energy at 298.15K	-22.274129
HF Energy	-22.271913
Nuclear repulsion energy	31.993450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3826	3491	38.17
2	A'	3634	3316	90.72
3	A'	2343	2138	135.92
4	A'	1805	1647	59.38
5	A'	1142	1042	22.36
6	A'	709	647	160.67
7	A'	547	499	1.98
8	A'	274	250	470.47
9	A"	3973	3625	48.98
10	A"	1268	1157	4.28
11	A"	904	825	55.14
12	A"	424	387	24.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	1.371	0.000
C2	0.000	0.168	0.000
N3	-0.000	-1.184	0.000
H4	0.001	2.425	0.000
H5	-0.001	-1.688	0.853
H6	-0.001	-1.688	-0.853

	C1	C2	N3	H4	H5	H6
C1		1.2031	2.5553	1.0531	3.1762	3.1762
C2	1.2031		1.3522	2.2562	2.0431	2.0431
N3	2.5553	1.3522		3.6084	0.9912	0.9912
H4	1.0531	2.2562	3.6084		4.2001	4.2001
H5	3.1762	2.0431	0.9912	4.2001		1.7069
H6	3.1762	2.0431	0.9912	4.2001	1.7069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.989	C2	C1	H4	179.976
C2	N3	H5	120.569	C2	N3	H6	120.569
H5	N3	H6	118.862

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: HF/CEP-121G

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	-0.706
2	C	0.180
3	N	-0.486
4	H	0.286
5	H	0.363
6	H	0.363

	x	y	z	Total
	-0.002	-1.621	0.000	1.621
CHELPG
AIM
ESP

	x	y	z
x	2.003	0.002	0.000
y	0.002	6.249	0.000
z	0.000	0.000	2.216

<r²>	37.999
(<r²>)^1/2	6.164

All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)