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	hartrees
Energy at 0K	-153.660617
Energy at 298.15K
HF Energy	-153.660617
Nuclear repulsion energy	74.925584

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	3014	3014	18.24	238.99	0.07	0.13
2	A₁	1484	1484	2.71	3.03	0.35	0.52
3	A₁	1273	1273	14.61	28.74	0.12	0.22
4	A₁	1104	1104	0.22	2.46	0.21	0.35
5	A₁	882	882	65.43	8.19	0.72	0.84
6	A₂	3087	3087	0.00	121.81	0.75	0.86
7	A₂	1134	1134	0.00	1.39	0.75	0.86
8	A₂	1012	1012	0.00	0.04	0.75	0.86
9	B₁	3102	3102	44.47	27.02	0.75	0.86
10	B₁	1133	1133	2.61	4.11	0.75	0.86
11	B₁	792	792	0.13	3.56	0.75	0.86
12	B₂	3008	3008	37.39	11.63	0.75	0.86
13	B₂	1451	1451	0.14	3.86	0.75	0.86
14	B₂	1115	1115	0.48	0.35	0.75	0.86
15	B₂	834	834	10.85	2.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.858
C2	0.000	0.734	-0.374
C3	0.000	-0.734	-0.374
H4	0.926	1.274	-0.594
H5	-0.926	1.274	-0.594
H6	-0.926	-1.274	-0.594
H7	0.926	-1.274	-0.594

	O1	C2	C3	H4	H5	H6	H7
O1		1.4348	1.4348	2.1424	2.1424	2.1424	2.1424
C2	1.4348		1.4689	1.0941	1.0941	2.2223	2.2223
C3	1.4348	1.4689		2.2223	2.2223	1.0941	1.0941
H4	2.1424	1.0941	2.2223		1.8525	3.1496	2.5472
H5	2.1424	1.0941	2.2223	1.8525		2.5472	3.1496
H6	2.1424	2.2223	1.0941	3.1496	2.5472		1.8525
H7	2.1424	2.2223	1.0941	2.5472	3.1496	1.8525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.209	O1	C2	H4	115.151
O1	C2	H5	115.151	O1	C3	C2	59.209
O1	C3	H6	115.151	O1	C3	H7	115.151
C2	O1	C3	61.581	C2	C3	H6	119.523
C2	C3	H7	119.523	C3	C2	H4	119.523
C3	C2	H5	119.523	H4	C2	H5	115.689
H6	C3	H7	115.689

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

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	-0.511
2	C	0.028
3	C	0.028
4	H	0.114
5	H	0.114
6	H	0.114
7	H	0.114

	x	y	z	Total
	0.000	0.000	-1.800	1.800
CHELPG
AIM
ESP

<r²>	36.910
(<r²>)^1/2	6.075

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

States and conformations

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