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	hartrees
Energy at 0K	-152.116402
Energy at 298.15K
HF Energy	-151.674216
Nuclear repulsion energy	57.577743

Atom	x (Å)	y (Å)
C1	0.000	0.134
C2	-0.474	1.255
O3	0.317	-1.163
H4	-0.972	2.190
H5	1.280	-1.217

	C1	C2	O3	H4	H5
C1		1.2176	1.3347	2.2744	1.8607
C2	1.2176		2.5442	1.0592	3.0309
O3	1.3347	2.5442		3.5920	0.9648
H4	2.2744	1.0592	3.5920		4.0838
H5	1.8607	3.0309	0.9648	4.0838

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	174.796		C1	O3	H5	106.922
C2	C1	O3	170.838

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP2/6-31+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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