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	hartrees
Energy at 0K	-152.125857
Energy at 298.15K	-152.126447
HF Energy	-151.675562
Nuclear repulsion energy	57.751480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3896	3671	114.95
2	A'	3546	3341	80.11
3	A'	2303	2170	115.68
4	A'	1277	1204	95.29
5	A'	1080	1018	83.38
6	A'	598	563	60.50
7	A'	343	323	9.79
8	A"	526	496	57.33
9	A"	346	326	18.81

Atom	x (Å)	y (Å)
C1	0.000	0.126
C2	0.079	1.332
O3	-0.167	-1.190
H4	0.166	2.391
H5	0.695	-1.622

	C1	C2	O3	H4	H5
C1		1.2083	1.3272	2.2704	1.8816
C2	1.2083		2.5344	1.0621	3.0177
O3	1.3272	2.5344		3.5964	0.9645
H4	2.2704	1.0621	3.5964		4.0474
H5	1.8816	3.0177	0.9645	4.0474

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.047		C1	O3	H5	109.361
C2	C1	O3	176.523

All results from a given calculation for HCCOH (ethynol)

using model chemistry: CCD/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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