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	hartrees
Energy at 0K	-152.030678
Energy at 298.15K
HF Energy	-151.580388
Nuclear repulsion energy	60.959561

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	3459	3260	2.13	97.87	0.20	0.33
2	A₁	1803	1699	1.39	24.67	0.20	0.33
3	A₁	1109	1045	2.83	4.71	0.28	0.43
4	A₁	891	839	42.49	7.71	0.45	0.62
5	A₂	479	451	0.00	0.24	0.75	0.86
6	B₁	485	457	84.22	0.72	0.75	0.86
7	B₂	3391	3195	39.79	16.70	0.75	0.86
8	B₂	952	897	7.22	3.31	0.75	0.86
9	B₂	10i	10i	0.56	12.89	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.901
C2	0.638	-0.467
C3	-0.638	-0.467
H4	1.658	-0.801
H5	-1.658	-0.801

	O1	C2	C3	H4	H5
O1		1.5098	1.5098	2.3763	2.3763
C2	1.5098		1.2753	1.0735	2.3197
C3	1.5098	1.2753		2.3197	1.0735
H4	2.3763	1.0735	2.3197		3.3158
H5	2.3763	2.3197	1.0735	3.3158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	65.017	O1	C2	H4	133.099
O1	C3	C2	65.017	O1	C3	H5	133.099
C2	O1	C3	49.965	C2	C3	H5	161.883
C3	C2	H4	161.883

All results from a given calculation for C₂H₂O (Oxirene)

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

using model chemistry: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)