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	hartrees
Energy at 0K	-153.656368
Energy at 298.15K
HF Energy	-153.656368
Nuclear repulsion energy	73.996566

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	3195	3195	2.61	191.85	0.10	0.18
2	A₁	1571	1571	0.29	4.84	0.74	0.85
3	A₁	1303	1303	9.88	25.47	0.15	0.26
4	A₁	1166	1166	5.36	5.10	0.35	0.52
5	A₁	875	875	49.32	12.69	0.72	0.84
6	A₂	3280	3280	0.00	102.55	0.75	0.86
7	A₂	1207	1207	0.00	6.03	0.75	0.86
8	A₂	1032	1032	0.00	0.02	0.75	0.86
9	B₁	3295	3295	32.57	12.34	0.75	0.86
10	B₁	1146	1146	2.89	18.19	0.75	0.86
11	B₁	840	840	0.17	9.17	0.75	0.86
12	B₂	3185	3185	13.49	7.78	0.75	0.86
13	B₂	1543	1543	0.37	5.61	0.75	0.86
14	B₂	1181	1181	8.31	3.23	0.75	0.86
15	B₂	845	845	4.45	10.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.885
C2	0.000	0.739	-0.388
C3	0.000	-0.739	-0.388
H4	0.917	1.273	-0.604
H5	-0.917	1.273	-0.604
H6	-0.917	-1.273	-0.604
H7	0.917	-1.273	-0.604

	O1	C2	C3	H4	H5	H6	H7
O1		1.4721	1.4721	2.1631	2.1631	2.1631	2.1631
C2	1.4721		1.4785	1.0830	1.0830	2.2218	2.2218
C3	1.4721	1.4785		2.2218	2.2218	1.0830	1.0830
H4	2.1631	1.0830	2.2218		1.8348	3.1379	2.5455
H5	2.1631	1.0830	2.2218	1.8348		2.5455	3.1379
H6	2.1631	2.2218	1.0830	3.1379	2.5455		1.8348
H7	2.1631	2.2218	1.0830	2.5455	3.1379	1.8348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.855	O1	C2	H4	114.830
O1	C2	H5	114.830	O1	C3	C2	59.855
O1	C3	H6	114.830	O1	C3	H7	114.830
C2	O1	C3	60.289	C2	C3	H6	119.513
C2	C3	H7	119.513	C3	C2	H4	119.513
C3	C2	H5	119.513	H4	C2	H5	115.787
H6	C3	H7	115.787

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

using model chemistry: M06-2X/6-31G

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	-0.490
2	C	-0.114
3	C	-0.114
4	H	0.179
5	H	0.179
6	H	0.179
7	H	0.179

	x	y	z	Total
	0.000	0.000	-2.584	2.584
CHELPG
AIM
ESP

<r²>	37.307
(<r²>)^1/2	6.108

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

using model chemistry: M06-2X/6-31G

States and conformations

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