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	hartrees
Energy at 0K	-152.095173
Energy at 298.15K
HF Energy	-151.620136
Nuclear repulsion energy	61.099728

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	3445	3274	2.23	97.05	0.22	0.36
2	A₁	1768	1680	1.88	30.54	0.17	0.28
3	A₁	1098	1044	3.28	5.39	0.38	0.55
4	A₁	894	849	47.78	6.99	0.48	0.65
5	A₂	581	552	0.00	1.50	0.75	0.86
6	B₁	510	485	88.14	0.55	0.75	0.86
7	B₂	3375	3207	48.29	15.93	0.75	0.86
8	B₂	955	907	5.68	2.05	0.75	0.86
9	B₂	127i	120i	2.85	15.03	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.896
C2	0.638	-0.465
C3	-0.638	-0.465
H4	1.658	-0.793
H5	-1.658	-0.793

	O1	C2	C3	H4	H5
O1		1.5040	1.5040	2.3670	2.3670
C2	1.5040		1.2769	1.0711	2.3200
C3	1.5040	1.2769		2.3200	1.0711
H4	2.3670	1.0711	2.3200		3.3167
H5	2.3670	2.3200	1.0711	3.3167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.882	O1	C2	H4	132.902
O1	C3	C2	64.882	O1	C3	H5	132.902
C2	O1	C3	50.237	C2	C3	H5	162.216
C3	C2	H4	162.216

All results from a given calculation for C₂H₂O (Oxirene)

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

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)