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	hartrees
Energy at 0K	-153.852137
Energy at 298.15K	-153.856815
Nuclear repulsion energy	75.350908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3086	3086	15.22
2	A₁	1540	1540	2.60
3	A₁	1300	1300	14.39
4	A₁	1149	1149	0.00
5	A₁	891	891	64.39
6	A₂	3158	3158	0.00
7	A₂	1176	1176	0.00
8	A₂	1045	1045	0.00
9	B₁	3173	3173	50.25
10	B₁	1170	1170	3.39
11	B₁	819	819	0.01
12	B₂	3079	3079	42.36
13	B₂	1506	1506	0.02
14	B₂	1156	1156	1.48
15	B₂	846	846	11.65

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.854
C2	0.000	0.732	-0.372
C3	0.000	-0.732	-0.372
H4	0.918	1.267	-0.593
H5	-0.918	1.267	-0.593
H6	-0.918	-1.267	-0.593
H7	0.918	-1.267	-0.593

	O1	C2	C3	H4	H5	H6	H7
O1		1.4271	1.4271	2.1303	2.1303	2.1303	2.1303
C2	1.4271		1.4634	1.0848	1.0848	2.2099	2.2099
C3	1.4271	1.4634		2.2099	2.2099	1.0848	1.0848
H4	2.1303	1.0848	2.2099		1.8350	3.1280	2.5332
H5	2.1303	1.0848	2.2099	1.8350		2.5332	3.1280
H6	2.1303	2.2099	1.0848	3.1280	2.5332		1.8350
H7	2.1303	2.2099	1.0848	2.5332	3.1280	1.8350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.156	O1	C2	H4	115.330
O1	C2	H5	115.330	O1	C3	C2	59.156
O1	C3	H6	115.330	O1	C3	H7	115.330
C2	O1	C3	61.688	C2	C3	H6	119.543
C2	C3	H7	119.543	C3	C2	H4	119.543
C3	C2	H5	119.543	H4	C2	H5	115.507
H6	C3	H7	115.507

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

using model chemistry: B3LYP/cc-pCVTZ

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	-0.310
2	C	-0.036
3	C	-0.036
4	H	0.095
5	H	0.095
6	H	0.095
7	H	0.095

	x	y	z	Total
	0.000	0.000	-1.893	1.893
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/cc-pCVTZ

States and conformations

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