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	hartrees
Energy at 0K	-153.822244
Energy at 298.15K
HF Energy	-153.822244
Nuclear repulsion energy	74.800810

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	3098	2997	18.99	257.62	0.07	0.12
2	A₁	1533	1483	2.53	2.93	0.34	0.51
3	A₁	1300	1257	13.78	30.96	0.11	0.20
4	A₁	1141	1104	0.02	3.90	0.17	0.30
5	A₁	898	868	69.65	8.48	0.74	0.85
6	A₂	3180	3076	0.00	122.46	0.75	0.86
7	A₂	1164	1126	0.00	0.85	0.75	0.86
8	A₂	1032	998	0.00	0.02	0.75	0.86
9	B₁	3196	3091	50.49	25.05	0.75	0.86
10	B₁	1150	1112	3.36	3.64	0.75	0.86
11	B₁	805	779	0.09	3.39	0.75	0.86
12	B₂	3091	2990	43.06	11.37	0.75	0.86
13	B₂	1497	1448	0.00	3.43	0.75	0.86
14	B₂	1146	1108	0.07	0.42	0.75	0.86
15	B₂	841	813	10.41	3.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.861
C2	0.000	0.735	-0.378
C3	0.000	-0.735	-0.378
H4	0.926	1.274	-0.590
H5	-0.926	1.274	-0.590
H6	-0.926	-1.274	-0.590
H7	0.926	-1.274	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4403	1.4403	2.1416	2.1416	2.1416	2.1416
C2	1.4403		1.4698	1.0927	1.0927	2.2224	2.2224
C3	1.4403	1.4698		2.2224	2.2224	1.0927	1.0927
H4	2.1416	1.0927	2.2224		1.8527	3.1505	2.5482
H5	2.1416	1.0927	2.2224	1.8527		2.5482	3.1505
H6	2.1416	2.2224	1.0927	3.1505	2.5482		1.8527
H7	2.1416	2.2224	1.0927	2.5482	3.1505	1.8527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.320	O1	C2	H4	114.760
O1	C2	H5	114.760	O1	C3	C2	59.320
O1	C3	H6	114.760	O1	C3	H7	114.760
C2	O1	C3	61.360	C2	C3	H6	119.571
C2	C3	H7	119.571	C3	C2	H4	119.571
C3	C2	H5	119.571	H4	C2	H5	115.943
H6	C3	H7	115.943

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

using model chemistry: TPSSh/aug-cc-pVDZ

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	-0.583
2	C	0.998
3	C	0.998
4	H	-0.354
5	H	-0.354
6	H	-0.354
7	H	-0.354

	x	y	z	Total
	0.000	0.000	-1.882	1.882
CHELPG
AIM
ESP

<r²>	36.886
(<r²>)^1/2	6.073

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

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

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