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	hartrees
Energy at 0K	-153.741666
Energy at 298.15K
HF Energy	-153.741666
Nuclear repulsion energy	73.362573

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	3150	3031	5.51	211.69	0.09	0.17
2	A₁	1564	1505	0.60	6.11	0.72	0.84
3	A₁	1272	1223	6.72	22.44	0.13	0.23
4	A₁	1140	1097	5.03	6.23	0.39	0.56
5	A₁	842	810	45.09	11.93	0.70	0.82
6	A₂	3232	3110	0.00	115.62	0.75	0.86
7	A₂	1207	1161	0.00	5.82	0.75	0.86
8	A₂	1009	971	0.00	0.01	0.75	0.86
9	B₁	3251	3128	54.53	15.00	0.75	0.86
10	B₁	1118	1075	1.25	18.79	0.75	0.86
11	B₁	832	801	0.03	10.71	0.75	0.86
12	B₂	3140	3021	27.75	9.88	0.75	0.86
13	B₂	1545	1487	0.01	6.09	0.75	0.86
14	B₂	1152	1108	9.64	4.29	0.75	0.86
15	B₂	766	736	6.35	7.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.901
C2	0.000	0.740	-0.397
C3	0.000	-0.740	-0.397
H4	0.919	1.277	-0.610
H5	-0.919	1.277	-0.610
H6	-0.919	-1.277	-0.610
H7	0.919	-1.277	-0.610

	O1	C2	C3	H4	H5	H6	H7
O1		1.4944	1.4944	2.1814	2.1814	2.1814	2.1814
C2	1.4944		1.4801	1.0852	1.0852	2.2266	2.2266
C3	1.4944	1.4801		2.2266	2.2266	1.0852	1.0852
H4	2.1814	1.0852	2.2266		1.8371	3.1463	2.5542
H5	2.1814	1.0852	2.2266	1.8371		2.5542	3.1463
H6	2.1814	2.2266	1.0852	3.1463	2.5542		1.8371
H7	2.1814	2.2266	1.0852	2.5542	3.1463	1.8371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.316	O1	C2	H4	114.556
O1	C2	H5	114.556	O1	C3	C2	60.316
O1	C3	H6	114.556	O1	C3	H7	114.556
C2	O1	C3	59.368	C2	C3	H6	119.664
C2	C3	H7	119.664	C3	C2	H4	119.664
C3	C2	H5	119.664	H4	C2	H5	115.664
H6	C3	H7	115.664

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

using model chemistry: TPSSh/6-31G

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	-0.468
2	C	-0.120
3	C	-0.120
4	H	0.177
5	H	0.177
6	H	0.177
7	H	0.177

	x	y	z	Total
	0.000	0.000	-2.504	2.504
CHELPG
AIM
ESP

<r²>	37.655
(<r²>)^1/2	6.136

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

using model chemistry: TPSSh/6-31G

States and conformations

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