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	hartrees
Energy at 0K	-151.751505
Energy at 298.15K
HF Energy	-151.751505
Nuclear repulsion energy	72.717152

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	3229	3229	1.42	79.32	0.09	0.16
2	A₁	1624	1624	0.65	14.19	0.73	0.84
3	A₁	1335	1335	1.88	15.22	0.27	0.43
4	A₁	1201	1201	3.39	2.23	0.29	0.45
5	A₁	948	948	7.81	7.55	0.74	0.85
6	A₂	3359	3359	0.00	56.00	0.75	0.86
7	A₂	1186	1186	0.00	6.34	0.75	0.86
8	A₂	1034	1034	0.00	0.23	0.75	0.86
9	B₁	3370	3370	14.03	9.77	0.75	0.86
10	B₁	1143	1143	4.23	11.28	0.75	0.86
11	B₁	848	848	0.04	4.41	0.75	0.86
12	B₂	3219	3219	0.03	6.18	0.75	0.86
13	B₂	1589	1589	0.82	6.13	0.75	0.86
14	B₂	1148	1148	1.96	1.07	0.75	0.86
15	B₂	991	991	1.05	4.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.897
C2	0.000	0.755	-0.384
C3	0.000	-0.755	-0.384
H4	0.934	1.302	-0.642
H5	-0.934	1.302	-0.642
H6	-0.934	-1.302	-0.642
H7	0.934	-1.302	-0.642

	O1	C2	C3	H4	H5	H6	H7
O1		1.4866	1.4866	2.2213	2.2213	2.2213	2.2213
C2	1.4866		1.5103	1.1123	1.1123	2.2737	2.2737
C3	1.4866	1.5103		2.2737	2.2737	1.1123	1.1123
H4	2.2213	1.1123	2.2737		1.8670	3.2041	2.6040
H5	2.2213	1.1123	2.2737	1.8670		2.6040	3.2041
H6	2.2213	2.2737	1.1123	3.2041	2.6040		1.8670
H7	2.2213	2.2737	1.1123	2.6040	3.2041	1.8670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.471	O1	C2	H4	116.725
O1	C2	H5	116.725	O1	C3	C2	59.471
O1	C3	H6	116.725	O1	C3	H7	116.725
C2	O1	C3	61.058	C2	C3	H6	119.449
C2	C3	H7	119.449	C3	C2	H4	119.449
C3	C2	H5	119.449	H4	C2	H5	114.129
H6	C3	H7	114.129

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

using model chemistry: B97D3/STO-3G

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	-0.159
2	C	-0.080
3	C	-0.080
4	H	0.080
5	H	0.080
6	H	0.080
7	H	0.080

	x	y	z	Total
	0.000	0.000	-1.201	1.201
CHELPG
AIM
ESP

<r²>	37.520
(<r²>)^1/2	6.125

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

using model chemistry: B97D3/STO-3G

States and conformations

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