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	hartrees
Energy at 0K	-28.943484
Energy at 298.15K
HF Energy	-28.943484
Nuclear repulsion energy	42.706109

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	3320	2982	17.90	220.83	0.11	0.20
2	A₁	1686	1514	6.77	9.30	0.11	0.20
3	A₁	1415	1270	13.24	35.90	0.20	0.33
4	A₁	1290	1158	9.60	3.75	0.24	0.39
5	A₁	986	886	111.36	12.43	0.75	0.85
6	A₂	3397	3050	0.00	108.50	0.75	0.86
7	A₂	1263	1134	0.00	2.77	0.75	0.86
8	A₂	1139	1023	0.00	0.11	0.75	0.86
9	B₁	3415	3066	106.94	14.30	0.75	0.86
10	B₁	1270	1141	9.62	10.80	0.75	0.86
11	B₁	865	777	0.18	6.08	0.75	0.86
12	B₂	3307	2970	76.32	9.74	0.75	0.86
13	B₂	1625	1460	1.29	4.65	0.75	0.86
14	B₂	1267	1137	0.01	0.84	0.75	0.86
15	B₂	973	874	11.78	13.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.838
C2	0.000	0.736	-0.367
C3	0.000	-0.736	-0.367
H4	0.917	1.275	-0.575
H5	-0.917	1.275	-0.575
H6	-0.917	-1.275	-0.575
H7	0.917	-1.275	-0.575

	O1	C2	C3	H4	H5	H6	H7
O1		1.4122	1.4122	2.1126	2.1126	2.1126	2.1126
C2	1.4122		1.4728	1.0833	1.0833	2.2199	2.2199
C3	1.4122	1.4728		2.2199	2.2199	1.0833	1.0833
H4	2.1126	1.0833	2.2199		1.8335	3.1399	2.5491
H5	2.1126	1.0833	2.2199	1.8335		2.5491	3.1399
H6	2.1126	2.2199	1.0833	3.1399	2.5491		1.8335
H7	2.1126	2.2199	1.0833	2.5491	3.1399	1.8335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.571	O1	C2	H4	115.045
O1	C2	H5	115.045	O1	C3	C2	58.571
O1	C3	H6	115.045	O1	C3	H7	115.045
C2	O1	C3	62.858	C2	C3	H6	119.786
C2	C3	H7	119.786	C3	C2	H4	119.786
C3	C2	H5	119.786	H4	C2	H5	115.614
H6	C3	H7	115.614

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

using model chemistry: HF/CEP-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	-0.309
2	C	-0.143
3	C	-0.143
4	H	0.149
5	H	0.149
6	H	0.149
7	H	0.149

	x	y	z	Total
	0.000	0.000	-2.288	2.288
CHELPG
AIM
ESP

<r²>	32.038
(<r²>)^1/2	5.660

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

using model chemistry: HF/CEP-31G*

States and conformations

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