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	hartrees
Energy at 0K	-153.793330
Energy at 298.15K
HF Energy	-153.793330
Nuclear repulsion energy	75.535432

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	3097	16.85	247.58	0.06	0.11
2	A₁	1536	1536	2.90	2.38	0.31	0.47
3	A₁	1313	1313	16.25	30.06	0.11	0.20
4	A₁	1151	1151	0.00	2.72	0.20	0.34
5	A₁	912	912	70.79	7.73	0.71	0.83
6	A₂	3172	3172	0.00	110.37	0.75	0.86
7	A₂	1171	1171	0.00	0.78	0.75	0.86
8	A₂	1049	1049	0.00	0.03	0.75	0.86
9	B₁	3187	3187	39.24	22.16	0.75	0.86
10	B₁	1172	1172	3.98	3.40	0.75	0.86
11	B₁	817	817	0.23	2.83	0.75	0.86
12	B₂	3089	3089	35.87	10.21	0.75	0.86
13	B₂	1497	1497	0.25	3.50	0.75	0.86
14	B₂	1162	1162	0.28	0.26	0.75	0.86
15	B₂	877	877	11.16	3.20	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		1.4215	1.4215	2.1246	2.1246	2.1246	2.1246
C2	1.4215		1.4601	1.0859	1.0859	2.2076	2.2076
C3	1.4215	1.4601		2.2076	2.2076	1.0859	1.0859
H4	2.1246	1.0859	2.2076		1.8387	3.1276	2.5300
H5	2.1246	1.0859	2.2076	1.8387		2.5300	3.1276
H6	2.1246	2.2076	1.0859	3.1276	2.5300		1.8387
H7	2.1246	2.2076	1.0859	2.5300	3.1276	1.8387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.097	O1	C2	H4	115.193
O1	C2	H5	115.193	O1	C3	C2	59.097
O1	C3	H6	115.193	O1	C3	H7	115.193
C2	O1	C3	61.806	C2	C3	H6	119.514
C2	C3	H7	119.514	C3	C2	H4	119.514
C3	C2	H5	119.514	H4	C2	H5	115.698
H6	C3	H7	115.698

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

using model chemistry: B3PW91/daug-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	-0.875
2	C	-0.547
3	C	-0.547
4	H	0.492
5	H	0.492
6	H	0.492
7	H	0.492

	x	y	z	Total
	0.000	0.000	-1.847	1.847
CHELPG
AIM
ESP

<r²>	36.351
(<r²>)^1/2	6.029

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

using model chemistry: B3PW91/daug-cc-pVTZ

States and conformations

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