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	hartrees
Energy at 0K	-153.634939
Energy at 298.15K
HF Energy	-153.482248
Nuclear repulsion energy	74.959759

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	3119	2987	10.60	227.14	0.09	0.17
2	A₁	1540	1475	3.41	2.53	0.66	0.80
3	A₁	1309	1254	10.77	26.21	0.18	0.31
4	A₁	1149	1101	0.09	1.71	0.45	0.62
5	A₁	898	860	58.70	10.96	0.74	0.85
6	A₂	3202	3066	0.00	124.41	0.75	0.86
7	A₂	1171	1122	0.00	3.92	0.75	0.86
8	A₂	1037	993	0.00	0.07	0.75	0.86
9	B₁	3217	3081	54.65	17.98	0.75	0.86
10	B₁	1163	1114	3.51	12.74	0.75	0.86
11	B₁	817	782	0.00	7.36	0.75	0.86
12	B₂	3109	2978	36.64	10.05	0.75	0.86
13	B₂	1494	1431	0.34	6.58	0.75	0.86
14	B₂	1140	1092	1.06	2.32	0.75	0.86
15	B₂	849	813	9.85	4.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.857
C2	0.000	0.735	-0.372
C3	0.000	-0.735	-0.372
H4	0.927	1.274	-0.598
H5	-0.927	1.274	-0.598
H6	-0.927	-1.274	-0.598
H7	0.927	-1.274	-0.598

	O1	C2	C3	H4	H5	H6	H7
O1		1.4319	1.4319	2.1439	2.1439	2.1439	2.1439
C2	1.4319		1.4704	1.0953	1.0953	2.2240	2.2240
C3	1.4319	1.4704		2.2240	2.2240	1.0953	1.0953
H4	2.1439	1.0953	2.2240		1.8534	3.1505	2.5477
H5	2.1439	1.0953	2.2240	1.8534		2.5477	3.1505
H6	2.1439	2.2240	1.0953	3.1505	2.5477		1.8534
H7	2.1439	2.2240	1.0953	2.5477	3.1505	1.8534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.106	O1	C2	H4	115.418
O1	C2	H5	115.418	O1	C3	C2	59.106
O1	C3	H6	115.418	O1	C3	H7	115.418
C2	O1	C3	61.788	C2	C3	H6	119.457
C2	C3	H7	119.457	C3	C2	H4	119.457
C3	C2	H5	119.457	H4	C2	H5	115.564
H6	C3	H7	115.564

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

using model chemistry: B2PLYP/cc-pVDZ

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	-0.298
2	C	0.074
3	C	0.074
4	H	0.038
5	H	0.038
6	H	0.038
7	H	0.038

	x	y	z	Total
	0.000	0.000	-1.851	1.851
CHELPG
AIM
ESP

<r²>	36.703
(<r²>)^1/2	6.058

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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