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	hartrees
Energy at 0K	-153.734328
Energy at 298.15K	-153.739023
Nuclear repulsion energy	75.485881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3107	3107	10.94
2	A₁	1531	1531	5.27
3	A₁	1326	1326	13.49
4	A₁	1148	1148	0.63
5	A₁	927	927	60.49
6	A₂	3189	3189	0.00
7	A₂	1154	1154	0.00
8	A₂	1033	1033	0.00
9	B₁	3204	3204	53.09
10	B₁	1162	1162	3.49
11	B₁	812	812	0.00
12	B₂	3096	3096	36.85
13	B₂	1473	1473	0.08
14	B₂	1130	1130	0.78
15	B₂	899	899	11.56

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.847
C2	0.000	0.731	-0.367
C3	0.000	-0.731	-0.367
H4	0.925	1.269	-0.594
H5	-0.925	1.269	-0.594
H6	-0.925	-1.269	-0.594
H7	0.925	-1.269	-0.594

	O1	C2	C3	H4	H5	H6	H7
O1		1.4169	1.4169	2.1318	2.1318	2.1318	2.1318
C2	1.4169		1.4628	1.0941	1.0941	2.2160	2.2160
C3	1.4169	1.4628		2.2160	2.2160	1.0941	1.0941
H4	2.1318	1.0941	2.2160		1.8501	3.1413	2.5387
H5	2.1318	1.0941	2.2160	1.8501		2.5387	3.1413
H6	2.1318	2.2160	1.0941	3.1413	2.5387		1.8501
H7	2.1318	2.2160	1.0941	2.5387	3.1413	1.8501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.923	O1	C2	H4	115.606
O1	C2	H5	115.606	O1	C3	C2	58.923
O1	C3	H6	115.606	O1	C3	H7	115.606
C2	O1	C3	62.154	C2	C3	H6	119.451
C2	C3	H7	119.451	C3	C2	H4	119.451
C3	C2	H5	119.451	H4	C2	H5	115.451
H6	C3	H7	115.451

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

using model chemistry: B1B95/cc-pCVDZ

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	-0.283
2	C	0.066
3	C	0.066
4	H	0.038
5	H	0.038
6	H	0.038
7	H	0.038

	x	y	z	Total
	0.000	0.000	-1.796	1.796
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/cc-pCVDZ

States and conformations

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