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	hartrees
Energy at 0K	-152.060930
Energy at 298.15K
HF Energy	-151.592384
Nuclear repulsion energy	60.930856

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	3479	3267	3.02	102.28	0.20	0.33
2	A₁	1791	1682	4.06	46.60	0.08	0.15
3	A₁	1093	1026	8.40	6.94	0.54	0.70
4	A₁	886	832	56.88	7.59	0.62	0.76
5	A₂	533	501	0.00	3.58	0.75	0.86
6	B₁	493	463	102.13	0.01	0.75	0.86
7	B₂	3409	3202	53.12	17.33	0.75	0.86
8	B₂	958	900	7.66	1.44	0.75	0.86
9	B₂	42	40	0.97	20.20	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.901
C2	0.639	-0.468
C3	-0.639	-0.468
H4	1.655	-0.799
H5	-1.655	-0.799

	O1	C2	C3	H4	H5
O1		1.5110	1.5110	2.3734	2.3734
C2	1.5110		1.2783	1.0690	2.3184
C3	1.5110	1.2783		2.3184	1.0690
H4	2.3734	1.0690	2.3184		3.3107
H5	2.3734	2.3184	1.0690	3.3107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.974	O1	C2	H4	133.105
O1	C3	C2	64.974	O1	C3	H5	133.105
C2	O1	C3	50.051	C2	C3	H5	161.921
C3	C2	H4	161.921

All results from a given calculation for C₂H₂O (Oxirene)

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

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/6-31+G**

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)