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	hartrees
Energy at 0K	-153.855797
Energy at 298.15K
HF Energy	-153.855797
Nuclear repulsion energy	75.286266

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	3087	3087	17.29	229.71	0.07	0.13
2	A₁	1541	1541	2.71	2.90	0.35	0.51
3	A₁	1303	1303	15.14	29.57	0.12	0.21
4	A₁	1153	1153	0.00	3.72	0.17	0.28
5	A₁	906	906	69.57	8.16	0.73	0.84
6	A₂	3161	3161	0.00	116.21	0.75	0.86
7	A₂	1177	1177	0.00	1.37	0.75	0.86
8	A₂	1049	1049	0.00	0.02	0.75	0.86
9	B₁	3177	3177	46.22	22.38	0.75	0.86
10	B₁	1170	1170	3.75	3.95	0.75	0.86
11	B₁	812	812	0.17	2.90	0.75	0.86
12	B₂	3080	3080	39.83	10.43	0.75	0.86
13	B₂	1510	1510	0.01	3.45	0.75	0.86
14	B₂	1162	1162	0.14	0.33	0.75	0.86
15	B₂	858	858	10.21	3.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.854
C2	0.000	0.732	-0.374
C3	0.000	-0.732	-0.374
H4	0.920	1.268	-0.587
H5	-0.920	1.268	-0.587
H6	-0.920	-1.268	-0.587
H7	0.920	-1.268	-0.587

	O1	C2	C3	H4	H5	H6	H7
O1		1.4293	1.4293	2.1283	2.1283	2.1283	2.1283
C2	1.4293		1.4634	1.0858	1.0858	2.2114	2.2114
C3	1.4293	1.4634		2.2114	2.2114	1.0858	1.0858
H4	2.1283	1.0858	2.2114		1.8395	3.1331	2.5362
H5	2.1283	1.0858	2.2114	1.8395		2.5362	3.1331
H6	2.1283	2.2114	1.0858	3.1331	2.5362		1.8395
H7	2.1283	2.2114	1.0858	2.5362	3.1331	1.8395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.209	O1	C2	H4	114.919
O1	C2	H5	114.919	O1	C3	C2	59.209
O1	C3	H6	114.919	O1	C3	H7	114.919
C2	O1	C3	61.581	C2	C3	H6	119.606
C2	C3	H7	119.606	C3	C2	H4	119.606
C3	C2	H5	119.606	H4	C2	H5	115.784
H6	C3	H7	115.784

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

using model chemistry: TPSSh/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	-0.561
2	C	0.112
3	C	0.112
4	H	0.085
5	H	0.085
6	H	0.085
7	H	0.085

	x	y	z	Total
	0.000	0.000	-1.881	1.881
CHELPG
AIM
ESP

<r²>	36.518
(<r²>)^1/2	6.043

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

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

States and conformations

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