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	hartrees
Energy at 0K	-153.624884
Energy at 298.15K
HF Energy	-153.624884
Nuclear repulsion energy	75.659591

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	3114	2980	12.14	186.50	0.09	0.17
2	A₁	1549	1482	3.40	2.85	0.62	0.77
3	A₁	1334	1277	13.68	23.70	0.16	0.28
4	A₁	1165	1115	0.12	1.59	0.37	0.54
5	A₁	937	897	56.11	10.00	0.73	0.84
6	A₂	3192	3054	0.00	100.80	0.75	0.86
7	A₂	1173	1123	0.00	3.54	0.75	0.86
8	A₂	1053	1007	0.00	0.20	0.75	0.86
9	B₁	3208	3070	44.68	14.12	0.75	0.86
10	B₁	1180	1130	3.42	11.64	0.75	0.86
11	B₁	816	781	0.01	6.60	0.75	0.86
12	B₂	3104	2971	35.41	9.40	0.75	0.86
13	B₂	1502	1438	0.05	5.89	0.75	0.86
14	B₂	1155	1105	0.69	2.30	0.75	0.86
15	B₂	911	872	11.72	3.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.845
C2	0.000	0.731	-0.366
C3	0.000	-0.731	-0.366
H4	0.921	1.267	-0.591
H5	-0.921	1.267	-0.591
H6	-0.921	-1.267	-0.591
H7	0.921	-1.267	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4143	1.4143	2.1249	2.1249	2.1249	2.1249
C2	1.4143		1.4611	1.0893	1.0893	2.2112	2.2112
C3	1.4143	1.4611		2.2112	2.2112	1.0893	1.0893
H4	2.1249	1.0893	2.2112		1.8418	3.1328	2.5343
H5	2.1249	1.0893	2.2112	1.8418		2.5343	3.1328
H6	2.1249	2.2112	1.0893	3.1328	2.5343		1.8418
H7	2.1249	2.2112	1.0893	2.5343	3.1328	1.8418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.899	O1	C2	H4	115.544
O1	C2	H5	115.544	O1	C3	C2	58.899
O1	C3	H6	115.544	O1	C3	H7	115.544
C2	O1	C3	62.203	C2	C3	H6	119.512
C2	C3	H7	119.512	C3	C2	H4	119.512
C3	C2	H5	119.512	H4	C2	H5	115.433
H6	C3	H7	115.433

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

using model chemistry: PBE1PBE/6-31G(2df,p)

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	-0.234
2	C	-0.167
3	C	-0.167
4	H	0.142
5	H	0.142
6	H	0.142
7	H	0.142

	x	y	z	Total
	0.000	0.000	-1.744	1.744
CHELPG
AIM
ESP

<r²>	36.066
(<r²>)^1/2	6.005

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

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

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