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	hartrees
Energy at 0K	-153.848849
Energy at 298.15K
HF Energy	-153.848849
Nuclear repulsion energy	75.334766

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	2985	15.19	238.08	0.08	0.15
2	A₁	1541	1489	2.59	1.77	0.73	0.84
3	A₁	1300	1257	14.44	27.24	0.14	0.25
4	A₁	1150	1111	0.00	1.55	0.40	0.58
5	A₁	891	861	65.19	10.05	0.73	0.84
6	A₂	3160	3054	0.00	118.78	0.75	0.86
7	A₂	1176	1137	0.00	1.79	0.75	0.86
8	A₂	1046	1011	0.00	0.02	0.75	0.86
9	B₁	3175	3070	50.47	19.15	0.75	0.86
10	B₁	1170	1131	3.42	8.24	0.75	0.86
11	B₁	819	792	0.01	5.20	0.75	0.86
12	B₂	3081	2979	42.66	10.48	0.75	0.86
13	B₂	1507	1457	0.02	5.22	0.75	0.86
14	B₂	1156	1117	1.43	1.41	0.75	0.86
15	B₂	845	817	11.61	3.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.854
C2	0.000	0.732	-0.372
C3	0.000	-0.732	-0.372
H4	0.918	1.267	-0.593
H5	-0.918	1.267	-0.593
H6	-0.918	-1.267	-0.593
H7	0.918	-1.267	-0.593

	O1	C2	C3	H4	H5	H6	H7
O1		1.4277	1.4277	2.1305	2.1305	2.1305	2.1305
C2	1.4277		1.4633	1.0849	1.0849	2.2100	2.2100
C3	1.4277	1.4633		2.2100	2.2100	1.0849	1.0849
H4	2.1305	1.0849	2.2100		1.8353	3.1283	2.5333
H5	2.1305	1.0849	2.2100	1.8353		2.5333	3.1283
H6	2.1305	2.2100	1.0849	3.1283	2.5333		1.8353
H7	2.1305	2.2100	1.0849	2.5333	3.1283	1.8353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.171	O1	C2	H4	115.299
O1	C2	H5	115.299	O1	C3	C2	59.171
O1	C3	H6	115.299	O1	C3	H7	115.299
C2	O1	C3	61.658	C2	C3	H6	119.547
C2	C3	H7	119.547	C3	C2	H4	119.547
C3	C2	H5	119.547	H4	C2	H5	115.526
H6	C3	H7	115.526

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

using model chemistry: B3LYPultrafine/cc-pVTZ

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	-0.303
2	C	-0.031
3	C	-0.031
4	H	0.091
5	H	0.091
6	H	0.091
7	H	0.091

	x	y	z	Total
	0.000	0.000	-1.896	1.896
CHELPG
AIM
ESP

<r²>	36.499
(<r²>)^1/2	6.041

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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