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	hartrees
Energy at 0K	-152.221510
Energy at 298.15K
HF Energy	-152.109027
Nuclear repulsion energy	59.118701

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	3460	3460	3.74	95.60	0.18	0.30
2	A₁	1774	1774	0.84	39.91	0.22	0.36
3	A₁	993	993	1.95	2.22	0.43	0.60
4	A₁	811	811	27.30	11.41	0.44	0.61
5	A₂	620	620	0.00	1.88	0.75	0.86
6	B₁	588	588	112.36	0.77	0.75	0.86
7	B₂	3388	3388	42.23	21.30	0.75	0.86
8	B₂	936	936	10.09	2.85	0.75	0.86
9	B₂	188i	188i	1.45	13.60	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.958
C2	0.641	-0.497
C3	-0.641	-0.497
H4	1.652	-0.847
H5	-1.652	-0.847

	O1	C2	C3	H4	H5
O1		1.5898	1.5898	2.4464	2.4464
C2	1.5898		1.2812	1.0698	2.3187
C3	1.5898	1.2812		2.3187	1.0698
H4	2.4464	1.0698	2.3187		3.3032
H5	2.4464	2.3187	1.0698	3.3032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	66.238	O1	C2	H4	132.843
O1	C3	C2	66.238	O1	C3	H5	132.843
C2	O1	C3	47.524	C2	C3	H5	160.919
C3	C2	H4	160.919

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)