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	hartrees
Energy at 0K	-152.116852
Energy at 298.15K	-152.117152
HF Energy	-151.657740
Nuclear repulsion energy	57.481777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3708	3557
2	A'	3497	3355
3	A'	2257	2165
4	A'	1297	1244
5	A'	1061	1017
6	A'	552	529
7	A'	280	268
8	A"	492	472
9	A"	227	218

Atom	x (Å)	y (Å)
C1	0.000	0.125
C2	0.109	1.336
O3	-0.194	-1.191
H4	0.223	2.398
H5	0.676	-1.633

	C1	C2	O3	H4	H5
C1		1.2152	1.3310	2.2831	1.8840
C2	1.2152		2.5452	1.0679	3.0227
O3	1.3310	2.5452		3.6131	0.9754
H4	2.2831	1.0679	3.6131		4.0561
H5	1.8840	3.0227	0.9754	4.0561

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	178.972		C1	O3	H5	108.564
C2	C1	O3	176.756

All results from a given calculation for HCCOH (ethynol)

using model chemistry: QCISD(T)/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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