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	hartrees
Energy at 0K	-153.785131
Energy at 298.15K
HF Energy	-153.785131
Nuclear repulsion energy	75.737809

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	3136	3136	12.84	230.55	0.06	0.12
2	A₁	1553	1553	3.46	3.32	0.13	0.23
3	A₁	1332	1332	18.90	32.36	0.11	0.20
4	A₁	1168	1168	0.03	1.90	0.32	0.48
5	A₁	933	933	70.88	7.96	0.66	0.79
6	A₂	3216	3216	0.00	96.35	0.75	0.86
7	A₂	1174	1174	0.00	1.09	0.75	0.86
8	A₂	1062	1062	0.00	0.03	0.75	0.86
9	B₁	3229	3229	27.29	16.63	0.75	0.86
10	B₁	1187	1187	5.71	3.55	0.75	0.86
11	B₁	817	817	0.35	2.13	0.75	0.86
12	B₂	3129	3129	25.43	8.18	0.75	0.86
13	B₂	1508	1508	0.19	3.11	0.75	0.86
14	B₂	1171	1171	0.07	0.23	0.75	0.86
15	B₂	926	926	8.90	4.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.843
C2	0.000	0.732	-0.368
C3	0.000	-0.732	-0.368
H4	0.919	1.262	-0.584
H5	-0.919	1.262	-0.584
H6	-0.919	-1.262	-0.584
H7	0.919	-1.262	-0.584

	O1	C2	C3	H4	H5	H6	H7
O1		1.4150	1.4150	2.1158	2.1158	2.1158	2.1158
C2	1.4150		1.4638	1.0830	1.0830	2.2064	2.2064
C3	1.4150	1.4638		2.2064	2.2064	1.0830	1.0830
H4	2.1158	1.0830	2.2064		1.8377	3.1228	2.5247
H5	2.1158	1.0830	2.2064	1.8377		2.5247	3.1228
H6	2.1158	2.2064	1.0830	3.1228	2.5247		1.8377
H7	2.1158	2.2064	1.0830	2.5247	3.1228	1.8377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.853	O1	C2	H4	115.137
O1	C2	H5	115.137	O1	C3	C2	58.853
O1	C3	H6	115.137	O1	C3	H7	115.137
C2	O1	C3	62.295	C2	C3	H6	119.331
C2	C3	H7	119.331	C3	C2	H4	119.331
C3	C2	H5	119.331	H4	C2	H5	116.095
H6	C3	H7	116.095

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

using model chemistry: M06-2X/daug-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	-0.801
2	C	-0.768
3	C	-0.768
4	H	0.585
5	H	0.585
6	H	0.585
7	H	0.585

	x	y	z	Total
	0.000	0.000	-1.902	1.902
CHELPG
AIM
ESP

<r²>	36.282
(<r²>)^1/2	6.023

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

using model chemistry: M06-2X/daug-cc-pVTZ

States and conformations

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