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	hartrees
Energy at 0K	-153.801750
Energy at 298.15K
HF Energy	-153.801750
Nuclear repulsion energy	74.509214

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	3010	3010	16.63	255.41	0.08	0.14
2	A₁	1494	1494	2.48	2.44	0.75	0.86
3	A₁	1247	1247	11.88	27.50	0.12	0.22
4	A₁	1102	1102	0.03	2.50	0.32	0.48
5	A₁	843	843	61.74	10.09	0.74	0.85
6	A₂	3080	3080	0.00	126.81	0.75	0.86
7	A₂	1144	1144	0.00	1.64	0.75	0.86
8	A₂	1008	1008	0.00	0.02	0.75	0.86
9	B₁	3096	3096	54.82	22.88	0.75	0.86
10	B₁	1127	1127	2.25	8.51	0.75	0.86
11	B₁	796	796	0.00	6.40	0.75	0.86
12	B₂	3004	3004	45.50	12.99	0.75	0.86
13	B₂	1469	1469	0.10	5.73	0.75	0.86
14	B₂	1114	1114	2.02	2.26	0.75	0.86
15	B₂	778	778	12.56	2.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.868
C2	0.000	0.737	-0.379
C3	0.000	-0.737	-0.379
H4	0.923	1.276	-0.599
H5	-0.923	1.276	-0.599
H6	-0.923	-1.276	-0.599
H7	0.923	-1.276	-0.599

	O1	C2	C3	H4	H5	H6	H7
O1		1.4488	1.4488	2.1529	2.1529	2.1529	2.1529
C2	1.4488		1.4746	1.0917	1.0917	2.2263	2.2263
C3	1.4488	1.4746		2.2263	2.2263	1.0917	1.0917
H4	2.1529	1.0917	2.2263		1.8470	3.1509	2.5528
H5	2.1529	1.0917	2.2263	1.8470		2.5528	3.1509
H6	2.1529	2.2263	1.0917	3.1509	2.5528		1.8470
H7	2.1529	2.2263	1.0917	2.5528	3.1509	1.8470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.408	O1	C2	H4	115.142
O1	C2	H5	115.142	O1	C3	C2	59.408
O1	C3	H6	115.142	O1	C3	H7	115.142
C2	O1	C3	61.183	C2	C3	H6	119.589
C2	C3	H7	119.589	C3	C2	H4	119.589
C3	C2	H5	119.589	H4	C2	H5	115.534
H6	C3	H7	115.534

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

using model chemistry: BLYP/Def2TZVPP

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	-0.336
2	C	-0.017
3	C	-0.017
4	H	0.092
5	H	0.092
6	H	0.092
7	H	0.092

	x	y	z	Total
	0.000	0.000	-1.876	1.876
CHELPG
AIM
ESP

<r²>	37.211
(<r²>)^1/2	6.100

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

using model chemistry: BLYP/Def2TZVPP

States and conformations

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