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	hartrees
Energy at 0K	-152.878451
Energy at 298.15K
HF Energy	-152.878451
Nuclear repulsion energy	73.492827

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	3165	2999	2.94	166.73	0.10	0.18
2	A₁	1579	1497	0.00	6.00	0.75	0.86
3	A₁	1245	1180	8.61	19.92	0.14	0.24
4	A₁	1148	1089	9.95	5.31	0.36	0.53
5	A₁	849	804	30.21	10.99	0.74	0.85
6	A₂	3243	3074	0.00	96.38	0.75	0.86
7	A₂	1205	1142	0.00	5.91	0.75	0.86
8	A₂	1006	954	0.00	0.01	0.75	0.86
9	B₁	3262	3092	34.25	12.85	0.75	0.86
10	B₁	1128	1069	0.75	18.91	0.75	0.86
11	B₁	855	811	0.00	10.83	0.75	0.86
12	B₂	3153	2989	19.10	7.19	0.75	0.86
13	B₂	1554	1473	0.19	5.92	0.75	0.86
14	B₂	1148	1088	16.92	2.69	0.75	0.86
15	B₂	815	772	5.05	8.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.898
C2	0.000	0.742	-0.392
C3	0.000	-0.742	-0.392
H4	0.921	1.267	-0.622
H5	-0.921	1.267	-0.622
H6	-0.921	-1.267	-0.622
H7	0.921	-1.267	-0.622

	O1	C2	C3	H4	H5	H6	H7
O1		1.4879	1.4879	2.1825	2.1825	2.1825	2.1825
C2	1.4879		1.4840	1.0847	1.0847	2.2222	2.2222
C3	1.4879	1.4840		2.2222	2.2222	1.0847	1.0847
H4	2.1825	1.0847	2.2222		1.8414	3.1331	2.5348
H5	2.1825	1.0847	2.2222	1.8414		2.5348	3.1331
H6	2.1825	2.2222	1.0847	3.1331	2.5348		1.8414
H7	2.1825	2.2222	1.0847	2.5348	3.1331	1.8414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.085	O1	C2	H4	115.171
O1	C2	H5	115.171	O1	C3	C2	60.085
O1	C3	H6	115.171	O1	C3	H7	115.171
C2	O1	C3	59.830	C2	C3	H6	118.969
C2	C3	H7	118.969	C3	C2	H4	118.969
C3	C2	H5	118.969	H4	C2	H5	116.163
H6	C3	H7	116.163

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

using model chemistry: wB97X-D/3-21G*

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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Number	Element	Mulliken
1	O	-0.443
2	C	-0.243
3	C	-0.243
4	H	0.232
5	H	0.232
6	H	0.232
7	H	0.232

	x	y	z	Total
	0.000	0.000	-2.393	2.393
CHELPG
AIM
ESP

<r²>	37.484
(<r²>)^1/2	6.122

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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