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	hartrees
Energy at 0K	-153.675804
Energy at 298.15K
HF Energy	-153.675804
Nuclear repulsion energy	75.725691

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	3111	3111	14.28	235.17	0.08	0.14
2	A₁	1544	1544	3.41	1.88	0.39	0.56
3	A₁	1327	1327	15.48	28.48	0.14	0.24
4	A₁	1159	1159	0.08	0.91	0.36	0.53
5	A₁	928	928	68.93	9.66	0.71	0.83
6	A₂	3188	3188	0.00	110.20	0.75	0.86
7	A₂	1173	1173	0.00	1.31	0.75	0.86
8	A₂	1053	1053	0.00	0.07	0.75	0.86
9	B₁	3204	3204	41.37	18.36	0.75	0.86
10	B₁	1179	1179	3.63	7.00	0.75	0.86
11	B₁	818	818	0.05	4.72	0.75	0.86
12	B₂	3103	3103	37.03	10.46	0.75	0.86
13	B₂	1500	1500	0.11	4.95	0.75	0.86
14	B₂	1159	1159	1.26	1.48	0.75	0.86
15	B₂	899	899	12.55	3.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.846
C2	0.000	0.729	-0.368
C3	0.000	-0.729	-0.368
H4	0.920	1.263	-0.588
H5	-0.920	1.263	-0.588
H6	-0.920	-1.263	-0.588
H7	0.920	-1.263	-0.588

	O1	C2	C3	H4	H5	H6	H7
O1		1.4154	1.4154	2.1208	2.1208	2.1208	2.1208
C2	1.4154		1.4581	1.0862	1.0862	2.2054	2.2054
C3	1.4154	1.4581		2.2054	2.2054	1.0862	1.0862
H4	2.1208	1.0862	2.2054		1.8391	3.1251	2.5267
H5	2.1208	1.0862	2.2054	1.8391		2.5267	3.1251
H6	2.1208	2.2054	1.0862	3.1251	2.5267		1.8391
H7	2.1208	2.2054	1.0862	2.5267	3.1251	1.8391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.998	O1	C2	H4	115.314
O1	C2	H5	115.314	O1	C3	C2	58.998
O1	C3	H6	115.314	O1	C3	H7	115.314
C2	O1	C3	62.004	C2	C3	H6	119.467
C2	C3	H7	119.467	C3	C2	H4	119.467
C3	C2	H5	119.467	H4	C2	H5	115.684
H6	C3	H7	115.684

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

using model chemistry: PBE1PBE/Def2TZVPP

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	-0.318
2	C	-0.001
3	C	-0.001
4	H	0.080
5	H	0.080
6	H	0.080
7	H	0.080

	x	y	z	Total
	0.000	0.000	-1.836	1.836
CHELPG
AIM
ESP

<r²>	36.210
(<r²>)^1/2	6.017

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

using model chemistry: PBE1PBE/Def2TZVPP

States and conformations

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