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	hartrees
Energy at 0K	-152.715100
Energy at 298.15K
HF Energy	-152.610979
Nuclear repulsion energy	72.945523

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	3167	3167	3.40	164.79	0.10	0.18
2	A₁	1589	1589	0.04	7.46	0.73	0.84
3	A₁	1225	1225	6.21	14.70	0.11	0.20
4	A₁	1136	1136	6.82	8.98	0.31	0.48
5	A₁	815	815	22.75	10.65	0.73	0.84
6	A₂	3244	3244	0.00	93.56	0.75	0.86
7	A₂	1213	1213	0.00	6.30	0.75	0.86
8	A₂	1001	1001	0.00	0.00	0.75	0.86
9	B₁	3263	3263	39.92	12.81	0.75	0.86
10	B₁	1116	1116	0.75	19.03	0.75	0.86
11	B₁	851	851	0.05	11.52	0.75	0.86
12	B₂	3156	3156	21.29	7.36	0.75	0.86
13	B₂	1572	1572	0.07	5.96	0.75	0.86
14	B₂	1138	1138	15.04	3.09	0.75	0.86
15	B₂	768	768	4.33	7.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.913
C2	0.000	0.744	-0.399
C3	0.000	-0.744	-0.399
H4	0.919	1.270	-0.628
H5	-0.919	1.270	-0.628
H6	-0.919	-1.270	-0.628
H7	0.919	-1.270	-0.628

	O1	C2	C3	H4	H5	H6	H7
O1		1.5083	1.5083	2.1983	2.1983	2.1983	2.1983
C2	1.5083		1.4883	1.0832	1.0832	2.2257	2.2257
C3	1.5083	1.4883		2.2257	2.2257	1.0832	1.0832
H4	2.1983	1.0832	2.2257		1.8375	3.1352	2.5402
H5	2.1983	1.0832	2.2257	1.8375		2.5402	3.1352
H6	2.1983	2.2257	1.0832	3.1352	2.5402		1.8375
H7	2.1983	2.2257	1.0832	2.5402	3.1352	1.8375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.438	O1	C2	H4	115.067
O1	C2	H5	115.067	O1	C3	C2	60.438
O1	C3	H6	115.067	O1	C3	H7	115.067
C2	O1	C3	59.124	C2	C3	H6	119.049
C2	C3	H7	119.049	C3	C2	H4	119.049
C3	C2	H5	119.049	H4	C2	H5	116.030
H6	C3	H7	116.030

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

using model chemistry: B2PLYP/3-21G

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	-0.425
2	C	-0.205
3	C	-0.205
4	H	0.208
5	H	0.208
6	H	0.208
7	H	0.208

	x	y	z	Total
	0.000	0.000	-2.345	2.345
CHELPG
AIM
ESP

<r²>	38.003
(<r²>)^1/2	6.165

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

using model chemistry: B2PLYP/3-21G

States and conformations

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