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	hartrees
Energy at 0K	-151.777075
Energy at 298.15K
HF Energy	-151.777075
Nuclear repulsion energy	73.491571

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	3366	3366	0.02	70.08	0.10	0.18
2	A₁	1681	1681	0.10	12.52	0.67	0.80
3	A₁	1395	1395	1.75	17.34	0.30	0.46
4	A₁	1269	1269	4.74	1.78	0.26	0.41
5	A₁	992	992	8.41	7.70	0.73	0.85
6	A₂	3502	3502	0.00	50.86	0.75	0.86
7	A₂	1231	1231	0.00	6.38	0.75	0.86
8	A₂	1074	1074	0.00	0.14	0.75	0.86
9	B₁	3511	3511	2.40	8.22	0.75	0.86
10	B₁	1190	1190	5.98	11.20	0.75	0.86
11	B₁	877	877	0.01	3.80	0.75	0.86
12	B₂	3353	3353	3.34	4.90	0.75	0.86
13	B₂	1631	1631	0.08	5.42	0.75	0.86
14	B₂	1217	1217	1.55	0.32	0.75	0.86
15	B₂	1077	1077	0.04	6.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.883
C2	0.000	0.750	-0.378
C3	0.000	-0.750	-0.378
H4	0.927	1.290	-0.633
H5	-0.927	1.290	-0.633
H6	-0.927	-1.290	-0.633
H7	0.927	-1.290	-0.633

	O1	C2	C3	H4	H5	H6	H7
O1		1.4671	1.4671	2.1958	2.1958	2.1958	2.1958
C2	1.4671		1.5008	1.1028	1.1028	2.2560	2.2560
C3	1.4671	1.5008		2.2560	2.2560	1.1028	1.1028
H4	2.1958	1.1028	2.2560		1.8545	3.1780	2.5808
H5	2.1958	1.1028	2.2560	1.8545		2.5808	3.1780
H6	2.1958	2.2560	1.1028	3.1780	2.5808		1.8545
H7	2.1958	2.2560	1.1028	2.5808	3.1780	1.8545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.237	O1	C2	H4	116.676
O1	C2	H5	116.676	O1	C3	C2	59.237
O1	C3	H6	116.676	O1	C3	H7	116.676
C2	O1	C3	61.526	C2	C3	H6	119.316
C2	C3	H7	119.316	C3	C2	H4	119.316
C3	C2	H5	119.316	H4	C2	H5	114.444
H6	C3	H7	114.444

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

using model chemistry: wB97X-D/STO-3G

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	-0.169
2	C	-0.087
3	C	-0.087
4	H	0.086
5	H	0.086
6	H	0.086
7	H	0.086

	x	y	z	Total
	0.000	0.000	-1.299	1.299
CHELPG
AIM
ESP

<r²>	36.960
(<r²>)^1/2	6.079

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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