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	hartrees
Energy at 0K	-152.384964
Energy at 298.15K
HF Energy	-152.209933
Nuclear repulsion energy	61.239036

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	3427	3427	2.16	88.15	0.21	0.35
2	A₁	1803	1803	1.34	51.77	0.18	0.31
3	A₁	1068	1068	2.66	5.14	0.46	0.63
4	A₁	884	884	52.83	8.50	0.57	0.73
5	A₂	616	616	0.00	3.03	0.75	0.86
6	B₁	536	536	88.78	0.54	0.75	0.86
7	B₂	3355	3355	48.62	17.30	0.75	0.86
8	B₂	958	958	6.20	2.61	0.75	0.86
9	B₂	252i	252i	5.45	14.17	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.898
C2	0.633	-0.466
C3	-0.633	-0.466
H4	1.651	-0.795
H5	-1.651	-0.795

	O1	C2	C3	H4	H5
O1		1.5043	1.5043	2.3645	2.3645
C2	1.5043		1.2670	1.0691	2.3079
C3	1.5043	1.2670		2.3079	1.0691
H4	2.3645	1.0691	2.3079		3.3019
H5	2.3645	2.3079	1.0691	3.3019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	65.094	O1	C2	H4	132.786
O1	C3	C2	65.094	O1	C3	H5	132.786
C2	O1	C3	49.811	C2	C3	H5	162.119
C3	C2	H4	162.119

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-311G**

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)