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	hartrees
Energy at 0K	-152.871336
Energy at 298.15K
HF Energy	-152.871336
Nuclear repulsion energy	73.293177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	3012	3.97
2	A₁	1565	1502	0.02
3	A₁	1235	1185	7.12
4	A₁	1131	1085	10.24
5	A₁	846	811	28.55
6	A₂	3217	3086	0.00
7	A₂	1194	1145	0.00
8	A₂	994	953	0.00
9	B₁	3237	3105	41.19
10	B₁	1114	1068	0.48
11	B₁	843	809	0.01
12	B₂	3129	3002	22.67
13	B₂	1543	1481	0.02
14	B₂	1126	1080	16.89
15	B₂	802	769	6.16

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.902
C2	0.000	0.743	-0.393
C3	0.000	-0.743	-0.393
H4	0.922	1.269	-0.625
H5	-0.922	1.269	-0.625
H6	-0.922	-1.269	-0.625
H7	0.922	-1.269	-0.625

	O1	C2	C3	H4	H5	H6	H7
O1		1.4935	1.4935	2.1895	2.1895	2.1895	2.1895
C2	1.4935		1.4861	1.0865	1.0865	2.2254	2.2254
C3	1.4935	1.4861		2.2254	2.2254	1.0865	1.0865
H4	2.1895	1.0865	2.2254		1.8438	3.1372	2.5382
H5	2.1895	1.0865	2.2254	1.8438		2.5382	3.1372
H6	2.1895	2.2254	1.0865	3.1372	2.5382		1.8438
H7	2.1895	2.2254	1.0865	2.5382	3.1372	1.8438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.164	O1	C2	H4	115.222
O1	C2	H5	115.222	O1	C3	C2	60.164
O1	C3	H6	115.222	O1	C3	H7	115.222
C2	O1	C3	59.673	C2	C3	H6	118.959
C2	C3	H7	118.959	C3	C2	H4	118.959
C3	C2	H5	118.959	H4	C2	H5	116.100
H6	C3	H7	116.100

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

using model chemistry: B3PW91/3-21G*

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	-0.429
2	C	-0.247
3	C	-0.247
4	H	0.231
5	H	0.231
6	H	0.231
7	H	0.231

	x	y	z	Total
	0.000	0.000	-2.318	2.318
CHELPG
AIM
ESP

<r²>	37.649
(<r²>)^1/2	6.136

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

using model chemistry: B3PW91/3-21G*

States and conformations

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