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	hartrees
Energy at 0K	-153.793124
Energy at 298.15K
HF Energy	-153.793124
Nuclear repulsion energy	75.534065

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	3097	2989	16.86	247.27	0.06	0.11
2	A₁	1536	1483	2.85	2.46	0.31	0.47
3	A₁	1313	1268	16.27	30.00	0.11	0.20
4	A₁	1151	1111	0.00	2.63	0.22	0.36
5	A₁	912	881	70.78	7.78	0.71	0.83
6	A₂	3173	3062	0.00	110.60	0.75	0.86
7	A₂	1171	1130	0.00	0.78	0.75	0.86
8	A₂	1049	1013	0.00	0.03	0.75	0.86
9	B₁	3188	3076	39.11	22.24	0.75	0.86
10	B₁	1172	1131	3.97	3.44	0.75	0.86
11	B₁	818	789	0.24	2.85	0.75	0.86
12	B₂	3090	2982	35.86	10.18	0.75	0.86
13	B₂	1497	1445	0.26	3.47	0.75	0.86
14	B₂	1162	1121	0.29	0.26	0.75	0.86
15	B₂	877	846	11.11	3.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.850
C2	0.000	0.730	-0.370
C3	0.000	-0.730	-0.370
H4	0.919	1.265	-0.589
H5	-0.919	1.265	-0.589
H6	-0.919	-1.265	-0.589
H7	0.919	-1.265	-0.589

	O1	C2	C3	H4	H5	H6	H7
O1		1.4216	1.4216	2.1246	2.1246	2.1246	2.1246
C2	1.4216		1.4601	1.0859	1.0859	2.2076	2.2076
C3	1.4216	1.4601		2.2076	2.2076	1.0859	1.0859
H4	2.1246	1.0859	2.2076		1.8388	3.1276	2.5300
H5	2.1246	1.0859	2.2076	1.8388		2.5300	3.1276
H6	2.1246	2.2076	1.0859	3.1276	2.5300		1.8388
H7	2.1246	2.2076	1.0859	2.5300	3.1276	1.8388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.099	O1	C2	H4	115.188
O1	C2	H5	115.188	O1	C3	C2	59.099
O1	C3	H6	115.188	O1	C3	H7	115.188
C2	O1	C3	61.802	C2	C3	H6	119.514
C2	C3	H7	119.514	C3	C2	H4	119.514
C3	C2	H5	119.514	H4	C2	H5	115.703
H6	C3	H7	115.703

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

using model chemistry: B3PW91/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	-0.566
2	C	-0.274
3	C	-0.274
4	H	0.279
5	H	0.279
6	H	0.279
7	H	0.279

	x	y	z	Total
	0.000	0.000	-1.849	1.849
CHELPG
AIM
ESP

<r²>	36.352
(<r²>)^1/2	6.029

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

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

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