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	hartrees
Energy at 0K	-153.608455
Energy at 298.15K
HF Energy	-152.931870
Nuclear repulsion energy	75.268388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3124	3124
2	A₁	1556	1556
3	A₁	1303	1303
4	A₁	1163	1163
5	A₁	900	900
6	A₂	3200	3200
7	A₂	1182	1182
8	A₂	1057	1057
9	B₁	3217	3217
10	B₁	1182	1182
11	B₁	824	824
12	B₂	3114	3114
13	B₂	1521	1521
14	B₂	1171	1171
15	B₂	854	854

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.856
C2	0.000	0.733	-0.374
C3	0.000	-0.733	-0.374
H4	0.918	1.262	-0.591
H5	-0.918	1.262	-0.591
H6	-0.918	-1.262	-0.591
H7	0.918	-1.262	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4312	1.4312	2.1280	2.1280	2.1280	2.1280
C2	1.4312		1.4666	1.0818	1.0818	2.2075	2.2075
C3	1.4312	1.4666		2.2075	2.2075	1.0818	1.0818
H4	2.1280	1.0818	2.2075		1.8366	3.1221	2.5248
H5	2.1280	1.0818	2.2075	1.8366		2.5248	3.1221
H6	2.1280	2.2075	1.0818	3.1221	2.5248		1.8366
H7	2.1280	2.2075	1.0818	2.5248	3.1221	1.8366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.178	O1	C2	H4	115.016
O1	C2	H5	115.016	O1	C3	C2	59.178
O1	C3	H6	115.016	O1	C3	H7	115.016
C2	O1	C3	61.643	C2	C3	H6	119.279
C2	C3	H7	119.279	C3	C2	H4	119.279
C3	C2	H5	119.279	H4	C2	H5	116.176
H6	C3	H7	116.176

All results from a given calculation for C₂H₄O (Ethylene oxide)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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 C2H4O (Ethylene oxide)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₄O (Ethylene oxide)