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	hartrees
Energy at 0K	-153.777418
Energy at 298.15K
HF Energy	-153.777418
Nuclear repulsion energy	75.611167

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	3107	2971	12.29	215.24	0.09	0.17
2	A₁	1557	1489	3.86	1.55	0.54	0.70
3	A₁	1328	1270	16.94	26.53	0.16	0.28
4	A₁	1167	1116	0.14	0.72	0.60	0.75
5	A₁	920	880	71.70	11.31	0.72	0.84
6	A₂	3183	3045	0.00	113.43	0.75	0.86
7	A₂	1177	1126	0.00	2.69	0.75	0.86
8	A₂	1054	1008	0.00	0.14	0.75	0.86
9	B₁	3198	3059	58.04	16.92	0.75	0.86
10	B₁	1185	1134	4.79	10.49	0.75	0.86
11	B₁	828	792	0.02	5.92	0.75	0.86
12	B₂	3097	2962	42.09	9.59	0.75	0.86
13	B₂	1510	1445	0.01	6.01	0.75	0.86
14	B₂	1155	1104	2.32	1.72	0.75	0.86
15	B₂	899	860	11.31	4.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.846
C2	0.000	0.732	-0.367
C3	0.000	-0.732	-0.367
H4	0.920	1.267	-0.590
H5	-0.920	1.267	-0.590
H6	-0.920	-1.267	-0.590
H7	0.920	-1.267	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4165	1.4165	2.1240	2.1240	2.1240	2.1240
C2	1.4165		1.4632	1.0873	1.0873	2.2110	2.2110
C3	1.4165	1.4632		2.2110	2.2110	1.0873	1.0873
H4	2.1240	1.0873	2.2110		1.8402	3.1309	2.5330
H5	2.1240	1.0873	2.2110	1.8402		2.5330	3.1309
H6	2.1240	2.2110	1.0873	3.1309	2.5330		1.8402
H7	2.1240	2.2110	1.0873	2.5330	3.1309	1.8402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.903	O1	C2	H4	115.425
O1	C2	H5	115.425	O1	C3	C2	58.903
O1	C3	H6	115.425	O1	C3	H7	115.425
C2	O1	C3	62.195	C2	C3	H6	119.469
C2	C3	H7	119.469	C3	C2	H4	119.469
C3	C2	H5	119.469	H4	C2	H5	115.608
H6	C3	H7	115.608

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	O	-0.308
2	C	-0.097
3	C	-0.097
4	H	0.125
5	H	0.125
6	H	0.125
7	H	0.125

	x	y	z	Total
	0.000	0.000	-1.976	1.976
CHELPG
AIM
ESP

<r²>	36.191
(<r²>)^1/2	6.016

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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