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	hartrees
Energy at 0K	-152.207308
Energy at 298.15K	-152.207974
HF Energy	-151.707282
Nuclear repulsion energy	57.823488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3850	3850
2	A'	3493	3493
3	A'	2235	2235
4	A'	1296	1296
5	A'	1064	1064
6	A'	617	617
7	A'	368	368
8	A"	530	530
9	A"	372	372

Atom	x (Å)	y (Å)
C1	0.000	0.122
C2	0.219	1.315
O3	-0.283	-1.168
H4	0.402	2.364
H5	0.554	-1.645

	C1	C2	O3	H4	H5
C1		1.2125	1.3212	2.2775	1.8520
C2	1.2125		2.5333	1.0650	2.9789
O3	1.3212	2.5333		3.5980	0.9632
H4	2.2775	1.0650	3.5980		4.0120
H5	1.8520	2.9789	0.9632	4.0120

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.528		C1	O3	H5	107.294
C2	C1	O3	178.000

All results from a given calculation for HCCOH (ethynol)

using model chemistry: QCISD(T)/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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