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	hartrees
Energy at 0K	-153.665104
Energy at 298.15K
HF Energy	-153.665104
Nuclear repulsion energy	74.847735

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	3017	2983	18.87	271.59	0.06	0.11
2	A₁	1482	1465	2.67	2.50	0.43	0.60
3	A₁	1269	1254	14.46	29.93	0.11	0.20
4	A₁	1100	1088	0.15	2.52	0.22	0.35
5	A₁	879	869	65.43	7.99	0.73	0.84
6	A₂	3089	3054	0.00	124.87	0.75	0.86
7	A₂	1133	1120	0.00	0.76	0.75	0.86
8	A₂	1010	999	0.00	0.03	0.75	0.86
9	B₁	3104	3069	44.12	29.41	0.75	0.86
10	B₁	1128	1115	2.63	3.67	0.75	0.86
11	B₁	791	782	0.10	3.85	0.75	0.86
12	B₂	3011	2977	37.76	12.35	0.75	0.86
13	B₂	1449	1433	0.14	3.90	0.75	0.86
14	B₂	1113	1101	0.45	0.36	0.75	0.86
15	B₂	828	819	11.44	2.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.860
C2	0.000	0.735	-0.375
C3	0.000	-0.735	-0.375
H4	0.927	1.273	-0.595
H5	-0.927	1.273	-0.595
H6	-0.927	-1.273	-0.595
H7	0.927	-1.273	-0.595

	O1	C2	C3	H4	H5	H6	H7
O1		1.4376	1.4376	2.1443	2.1443	2.1443	2.1443
C2	1.4376		1.4695	1.0939	1.0939	2.2220	2.2220
C3	1.4376	1.4695		2.2220	2.2220	1.0939	1.0939
H4	2.1443	1.0939	2.2220		1.8532	3.1488	2.5456
H5	2.1443	1.0939	2.2220	1.8532		2.5456	3.1488
H6	2.1443	2.2220	1.0939	3.1488	2.5456		1.8532
H7	2.1443	2.2220	1.0939	2.5456	3.1488	1.8532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.263	O1	C2	H4	115.116
O1	C2	H5	115.116	O1	C3	C2	59.263
O1	C3	H6	115.116	O1	C3	H7	115.116
C2	O1	C3	61.473	C2	C3	H6	119.465
C2	C3	H7	119.465	C3	C2	H4	119.465
C3	C2	H5	119.465	H4	C2	H5	115.786
H6	C3	H7	115.786

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.495
2	C	-0.302
3	C	-0.302
4	H	0.274
5	H	0.274
6	H	0.274
7	H	0.274

	x	y	z	Total
	0.000	0.000	-1.776	1.776
CHELPG
AIM
ESP

<r²>	36.971
(<r²>)^1/2	6.080

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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