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	hartrees
Energy at 0K	-152.105300
Energy at 298.15K	-152.105983
HF Energy	-151.659835
Nuclear repulsion energy	57.891092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3791	3557	99.22
2	A'	3559	3339	77.30
3	A'	2353	2208	87.55
4	A'	1314	1233	117.63
5	A'	1098	1030	76.13
6	A'	620	582	48.51
7	A'	371	348	10.49
8	A"	539	505	41.05
9	A"	392	368	21.98

Atom	x (Å)	y (Å)
C1	0.000	0.131
C2	-0.291	1.298
O3	0.159	-1.190
H4	-0.636	2.301
H5	1.111	-1.352

	C1	C2	O3	H4	H5
C1		1.2020	1.3309	2.2615	1.8533
C2	1.2020		2.5280	1.0616	2.9976
O3	1.3309	2.5280		3.5810	0.9658
H4	2.2615	1.0616	3.5810		4.0498
H5	1.8533	2.9976	0.9658	4.0498

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	175.007		C1	O3	H5	106.507
C2	C1	O3	172.853

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP3=FULL/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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