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	hartrees
Energy at 0K	-153.517965
Energy at 298.15K
HF Energy	-152.924912
Nuclear repulsion energy	75.486326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	2989	14.53
2	A₁	1566	1493	2.66
3	A₁	1323	1262	13.57
4	A₁	1179	1124	0.17
5	A₁	917	875	70.36
6	A₂	3213	3064	0.00
7	A₂	1189	1134	0.00
8	A₂	1070	1020	0.00
9	B₁	3227	3078	34.52
10	B₁	1192	1137	4.65
11	B₁	826	788	0.23
12	B₂	3124	2979	30.88
13	B₂	1525	1454	0.05
14	B₂	1186	1132	0.15
15	B₂	878	838	8.65

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.850
C2	0.000	0.731	-0.371
C3	0.000	-0.731	-0.371
H4	0.919	1.265	-0.586
H5	-0.919	1.265	-0.586
H6	-0.919	-1.265	-0.586
H7	0.919	-1.265	-0.586

	O1	C2	C3	H4	H5	H6	H7
O1		1.4237	1.4237	2.1227	2.1227	2.1227	2.1227
C2	1.4237		1.4627	1.0839	1.0839	2.2082	2.2082
C3	1.4237	1.4627		2.2082	2.2082	1.0839	1.0839
H4	2.1227	1.0839	2.2082		1.8373	3.1271	2.5305
H5	2.1227	1.0839	2.2082	1.8373		2.5305	3.1271
H6	2.1227	2.2082	1.0839	3.1271	2.5305		1.8373
H7	2.1227	2.2082	1.0839	2.5305	3.1271	1.8373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.089	O1	C2	H4	114.998
O1	C2	H5	114.998	O1	C3	C2	59.089
O1	C3	H6	114.998	O1	C3	H7	114.998
C2	O1	C3	61.823	C2	C3	H6	119.509
C2	C3	H7	119.509	C3	C2	H4	119.509
C3	C2	H5	119.509	H4	C2	H5	115.890
H6	C3	H7	115.890

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

using model chemistry: QCISD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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