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	hartrees
Energy at 0K	-152.151155
Energy at 298.15K
HF Energy	-151.620394
Nuclear repulsion energy	61.164131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3452	3274	2.24	96.69	0.22	0.36
2	A₁	1772	1681	1.84	30.57	0.17	0.28
3	A₁	1100	1043	3.33	5.43	0.38	0.55
4	A₁	896	850	47.96	6.93	0.49	0.65
5	A₂	590	560	0.00	1.51	0.75	0.86
6	B₁	513	487	88.05	0.55	0.75	0.86
7	B₂	3381	3207	48.91	15.75	0.75	0.86
8	B₂	957	907	5.61	2.03	0.75	0.86
9	B₂	120i	114i	2.94	15.06	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.895
C2	0.638	-0.465
C3	-0.638	-0.465
H4	1.658	-0.791
H5	-1.658	-0.791

	O1	C2	C3	H4	H5
O1		1.5020	1.5020	2.3646	2.3646
C2	1.5020		1.2758	1.0706	2.3186
C3	1.5020	1.2758		2.3186	1.0706
H4	2.3646	1.0706	2.3186		3.3151
H5	2.3646	2.3186	1.0706	3.3151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.867	O1	C2	H4	132.888
O1	C3	C2	64.867	O1	C3	H5	132.888
C2	O1	C3	50.265	C2	C3	H5	162.245
C3	C2	H4	162.245

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2=FULL/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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All results from a given calculation for C2H2O (Oxirene)

using model chemistry: MP2=FULL/6-311G**

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)