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	hartrees
Energy at 0K	-153.862117
Energy at 298.15K
HF Energy	-153.862117
Nuclear repulsion energy	75.375123

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	3088	2992	15.75	245.03	0.07	0.13
2	A₁	1540	1492	2.46	1.79	0.64	0.78
3	A₁	1300	1260	14.87	28.45	0.13	0.23
4	A₁	1150	1114	0.01	1.98	0.32	0.48
5	A₁	889	862	67.08	9.37	0.73	0.84
6	A₂	3161	3062	0.00	117.15	0.75	0.86
7	A₂	1178	1141	0.00	1.21	0.75	0.86
8	A₂	1048	1015	0.00	0.02	0.75	0.86
9	B₁	3176	3077	45.27	20.40	0.75	0.86
10	B₁	1172	1135	3.68	6.00	0.75	0.86
11	B₁	820	794	0.06	4.32	0.75	0.86
12	B₂	3082	2986	40.05	10.68	0.75	0.86
13	B₂	1507	1460	0.00	4.46	0.75	0.86
14	B₂	1161	1124	0.85	0.99	0.75	0.86
15	B₂	844	817	11.62	3.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.853
C2	0.000	0.731	-0.372
C3	0.000	-0.731	-0.372
H4	0.917	1.266	-0.591
H5	-0.917	1.266	-0.591
H6	-0.917	-1.266	-0.591
H7	0.917	-1.266	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4270	1.4270	2.1286	2.1286	2.1286	2.1286
C2	1.4270		1.4628	1.0841	1.0841	2.2091	2.2091
C3	1.4270	1.4628		2.2091	2.2091	1.0841	1.0841
H4	2.1286	1.0841	2.2091		1.8343	3.1272	2.5327
H5	2.1286	1.0841	2.2091	1.8343		2.5327	3.1272
H6	2.1286	2.2091	1.0841	3.1272	2.5327		1.8343
H7	2.1286	2.2091	1.0841	2.5327	3.1272	1.8343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.167	O1	C2	H4	115.235
O1	C2	H5	115.235	O1	C3	C2	59.167
O1	C3	H6	115.235	O1	C3	H7	115.235
C2	O1	C3	61.667	C2	C3	H6	119.566
C2	C3	H7	119.566	C3	C2	H4	119.566
C3	C2	H5	119.566	H4	C2	H5	115.561
H6	C3	H7	115.561

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

using model chemistry: B3LYP/cc-pVQZ

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	-0.368
2	C	0.033
3	C	0.033
4	H	0.076
5	H	0.076
6	H	0.076
7	H	0.076

	x	y	z	Total
	0.000	0.000	-1.908	1.908
CHELPG
AIM
ESP

<r²>	36.520
(<r²>)^1/2	6.043

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

using model chemistry: B3LYP/cc-pVQZ

States and conformations

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