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	hartrees
Energy at 0K	-153.610668
Energy at 298.15K
HF Energy	-153.610668
Nuclear repulsion energy	75.522147

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	3136	2980	11.78	194.08	0.10	0.17
2	A₁	1578	1500	4.41	3.04	0.71	0.83
3	A₁	1341	1274	13.40	24.10	0.17	0.30
4	A₁	1177	1118	0.12	1.30	0.54	0.70
5	A₁	938	892	61.41	11.76	0.74	0.85
6	A₂	3210	3050	0.00	107.21	0.75	0.86
7	A₂	1190	1131	0.00	4.82	0.75	0.86
8	A₂	1054	1002	0.00	0.22	0.75	0.86
9	B₁	3225	3065	55.99	15.00	0.75	0.86
10	B₁	1186	1127	2.73	15.22	0.75	0.86
11	B₁	826	784	0.05	9.00	0.75	0.86
12	B₂	3126	2971	37.70	9.70	0.75	0.86
13	B₂	1529	1453	0.49	6.89	0.75	0.86
14	B₂	1151	1094	2.25	3.57	0.75	0.86
15	B₂	913	867	13.50	4.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.847
C2	0.000	0.731	-0.368
C3	0.000	-0.731	-0.368
H4	0.921	1.270	-0.591
H5	-0.921	1.270	-0.591
H6	-0.921	-1.270	-0.591
H7	0.921	-1.270	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4179	1.4179	2.1281	2.1281	2.1281	2.1281
C2	1.4179		1.4627	1.0902	1.0902	2.2145	2.2145
C3	1.4179	1.4627		2.2145	2.2145	1.0902	1.0902
H4	2.1281	1.0902	2.2145		1.8424	3.1379	2.5401
H5	2.1281	1.0902	2.2145	1.8424		2.5401	3.1379
H6	2.1281	2.2145	1.0902	3.1379	2.5401		1.8424
H7	2.1281	2.2145	1.0902	2.5401	3.1379	1.8424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.948	O1	C2	H4	115.475
O1	C2	H5	115.475	O1	C3	C2	58.948
O1	C3	H6	115.475	O1	C3	H7	115.475
C2	O1	C3	62.103	C2	C3	H6	119.612
C2	C3	H7	119.612	C3	C2	H4	119.612
C3	C2	H5	119.612	H4	C2	H5	115.340
H6	C3	H7	115.340

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

using model chemistry: PBE1PBE/6-31G*

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	-0.422
2	C	-0.148
3	C	-0.148
4	H	0.179
5	H	0.179
6	H	0.179
7	H	0.179

	x	y	z	Total
	0.000	0.000	-1.938	1.938
CHELPG
AIM
ESP

<r²>	36.192
(<r²>)^1/2	6.016

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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