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	hartrees
Energy at 0K	-152.230766
Energy at 298.15K	-152.231527
HF Energy	-151.707740
Nuclear repulsion energy	57.986266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3871	3672	127.59
2	A'	3539	3357	87.46
3	A'	2240	2125	116.60
4	A'	1281	1215	93.53
5	A'	1082	1026	78.82
6	A'	632	600	47.71
7	A'	397	377	11.13
8	A"	553	524	47.93
9	A"	413	392	12.31

Atom	x (Å)	y (Å)
C1	0.000	0.120
C2	0.215	1.313
O3	-0.279	-1.164
H4	0.393	2.359
H5	0.555	-1.644

	C1	C2	O3	H4	H5
C1		1.2119	1.3142	2.2733	1.8489
C2	1.2119		2.5257	1.0614	2.9759
O3	1.3142	2.5257		3.5868	0.9626
H4	2.2733	1.0614	3.5868		4.0059
H5	1.8489	2.9759	0.9626	4.0059

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.465		C1	O3	H5	107.592
C2	C1	O3	177.922

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP2=FULL/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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