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	hartrees
Energy at 0K	-152.082815
Energy at 298.15K
HF Energy	-151.589973
Nuclear repulsion energy	60.508690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3400	3261
2	A₁	1746	1675
3	A₁	1060	1016
4	A₁	846	811
5	A₂	498	478
6	B₁	456	437
7	B₂	3336	3199
8	B₂	920	882
9	B₂	246i	236i

Atom	y (Å)	z (Å)
O1	0.000	0.903
C2	0.647	-0.467
C3	-0.647	-0.467
H4	1.676	-0.808
H5	-1.676	-0.808

	O1	C2	C3	H4	H5
O1		1.5154	1.5154	2.3954	2.3954
C2	1.5154		1.2933	1.0843	2.3474
C3	1.5154	1.2933		2.3474	1.0843
H4	2.3954	1.0843	2.3474		3.3517
H5	2.3954	2.3474	1.0843	3.3517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.740	O1	C2	H4	133.596
O1	C3	C2	64.740	O1	C3	H5	133.596
C2	O1	C3	50.521	C2	C3	H5	161.664
C3	C2	H4	161.664

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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: QCISD(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)