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	hartrees
Energy at 0K	-152.218395
Energy at 298.15K
HF Energy	-151.647364
Nuclear repulsion energy	61.574548

Atom	y (Å)	z (Å)
O1	0.000	0.888
C2	0.634	-0.461
C3	-0.634	-0.461
H4	1.650	-0.790
H5	-1.650	-0.790

	O1	C2	C3	H4	H5
O1		1.4904	1.4904	2.3536	2.3536
C2	1.4904		1.2671	1.0685	2.3072
C3	1.4904	1.2671		2.3072	1.0685
H4	2.3536	1.0685	2.3072		3.3001
H5	2.3536	2.3072	1.0685	3.3001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.844	O1	C2	H4	133.106
O1	C3	C2	64.844	O1	C3	H5	133.106
C2	O1	C3	50.312	C2	C3	H5	162.050
C3	C2	H4	162.050

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCSD/daug-cc-pVTZ

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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All results from a given calculation for C2H2O (Oxirene)

using model chemistry: CCSD/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)