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	hartrees
Energy at 0K	-153.789906
Energy at 298.15K
HF Energy	-153.789906
Nuclear repulsion energy	75.561214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	2976	15.19
2	A₁	1539	1480	3.02
3	A₁	1315	1264	15.21
4	A₁	1152	1108	0.02
5	A₁	915	880	66.06
6	A₂	3169	3047	0.00
7	A₂	1171	1126	0.00
8	A₂	1048	1008	0.00
9	B₁	3185	3062	46.89
10	B₁	1173	1128	3.37
11	B₁	818	787	0.03
12	B₂	3087	2969	40.48
13	B₂	1499	1441	0.01
14	B₂	1153	1109	1.25
15	B₂	878	845	12.08

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.849
C2	0.000	0.730	-0.369
C3	0.000	-0.730	-0.369
H4	0.919	1.265	-0.591
H5	-0.919	1.265	-0.591
H6	-0.919	-1.265	-0.591
H7	0.919	-1.265	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4202	1.4202	2.1256	2.1256	2.1256	2.1256
C2	1.4202		1.4601	1.0862	1.0862	2.2075	2.2075
C3	1.4202	1.4601		2.2075	2.2075	1.0862	1.0862
H4	2.1256	1.0862	2.2075		1.8382	3.1269	2.5295
H5	2.1256	1.0862	2.2075	1.8382		2.5295	3.1269
H6	2.1256	2.2075	1.0862	3.1269	2.5295		1.8382
H7	2.1256	2.2075	1.0862	2.5295	3.1269	1.8382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.068	O1	C2	H4	115.352
O1	C2	H5	115.352	O1	C3	C2	59.068
O1	C3	H6	115.352	O1	C3	H7	115.352
C2	O1	C3	61.864	C2	C3	H6	119.491
C2	C3	H7	119.491	C3	C2	H4	119.491
C3	C2	H5	119.491	H4	C2	H5	115.591
H6	C3	H7	115.591

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

using model chemistry: B3PW91/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	-0.286
2	C	-0.024
3	C	-0.024
4	H	0.083
5	H	0.083
6	H	0.083
7	H	0.083

	x	y	z	Total
	0.000	0.000	-1.842	1.842
CHELPG
AIM
ESP

<r²>	36.245
(<r²>)^1/2	6.020

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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