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	hartrees
Energy at 0K	-151.648707
Energy at 298.15K
HF Energy	-151.648707
Nuclear repulsion energy	73.634387

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	3378	2980	0.09	70.09	0.10	0.18
2	A₁	1681	1483	0.15	12.24	0.67	0.81
3	A₁	1405	1239	2.06	16.78	0.31	0.47
4	A₁	1267	1117	4.83	1.65	0.26	0.42
5	A₁	1002	884	9.17	7.38	0.74	0.85
6	A₂	3514	3100	0.00	50.55	0.75	0.86
7	A₂	1231	1086	0.00	6.15	0.75	0.86
8	A₂	1075	949	0.00	0.14	0.75	0.86
9	B₁	3523	3108	2.71	8.34	0.75	0.86
10	B₁	1192	1051	5.28	10.96	0.75	0.86
11	B₁	876	772	0.00	3.79	0.75	0.86
12	B₂	3365	2969	2.71	5.02	0.75	0.86
13	B₂	1631	1439	0.03	5.46	0.75	0.86
14	B₂	1213	1070	1.96	0.40	0.75	0.86
15	B₂	1081	954	0.16	5.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.881
C2	0.000	0.748	-0.377
C3	0.000	-0.748	-0.377
H4	0.926	1.289	-0.632
H5	-0.926	1.289	-0.632
H6	-0.926	-1.289	-0.632
H7	0.926	-1.289	-0.632

	O1	C2	C3	H4	H5	H6	H7
O1		1.4640	1.4640	2.1924	2.1924	2.1924	2.1924
C2	1.4640		1.4967	1.1018	1.1018	2.2519	2.2519
C3	1.4640	1.4967		2.2519	2.2519	1.1018	1.1018
H4	2.1924	1.1018	2.2519		1.8518	3.1734	2.5770
H5	2.1924	1.1018	2.2519	1.8518		2.5770	3.1734
H6	2.1924	2.2519	1.1018	3.1734	2.5770		1.8518
H7	2.1924	2.2519	1.1018	2.5770	3.1734	1.8518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.260	O1	C2	H4	116.697
O1	C2	H5	116.697	O1	C3	C2	59.260
O1	C3	H6	116.697	O1	C3	H7	116.697
C2	O1	C3	61.481	C2	C3	H6	119.358
C2	C3	H7	119.358	C3	C2	H4	119.358
C3	C2	H5	119.358	H4	C2	H5	114.356
H6	C3	H7	114.356

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

using model chemistry: PBE1PBE/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	-0.164
2	C	-0.097
3	C	-0.097
4	H	0.090
5	H	0.090
6	H	0.090
7	H	0.090

	x	y	z	Total
	0.000	0.000	-1.279	1.279
CHELPG
AIM
ESP

<r²>	36.837
(<r²>)^1/2	6.069

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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