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	hartrees
Energy at 0K	-152.122789
Energy at 298.15K
HF Energy	-151.598940
Nuclear repulsion energy	61.219180

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	3465	3273	2.66	91.94	0.20	0.33
2	A₁	1783	1684	1.80	27.51	0.17	0.29
3	A₁	1104	1043	2.72	4.79	0.20	0.33
4	A₁	894	844	43.54	6.87	0.46	0.63
5	A₂	543	513	0.00	0.35	0.75	0.86
6	B₁	530	500	72.52	0.48	0.75	0.86
7	B₂	3395	3206	54.76	15.57	0.75	0.86
8	B₂	948	895	6.66	3.20	0.75	0.86
9	B₂	123	116	0.89	11.69	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.896
C2	0.636	-0.465
C3	-0.636	-0.465
H4	1.654	-0.793
H5	-1.654	-0.793

	O1	C2	C3	H4	H5
O1		1.5019	1.5019	2.3635	2.3635
C2	1.5019		1.2728	1.0690	2.3135
C3	1.5019	1.2728		2.3135	1.0690
H4	2.3635	1.0690	2.3135		3.3075
H5	2.3635	2.3135	1.0690	3.3075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.930	O1	C2	H4	132.945
O1	C3	C2	64.930	O1	C3	H5	132.945
C2	O1	C3	50.140	C2	C3	H5	162.125
C3	C2	H4	162.125

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)