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	hartrees
Energy at 0K	-153.446129
Energy at 298.15K
HF Energy	-152.884445
Nuclear repulsion energy	75.480533

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	3185	2994	9.42	167.55	0.09	0.17
2	A₁	1566	1472	1.92	3.06	0.71	0.83
3	A₁	1334	1254	10.24	21.53	0.14	0.25
4	A₁	1168	1097	0.33	2.56	0.28	0.44
5	A₁	930	874	52.40	9.14	0.75	0.86
6	A₂	3275	3078	0.00	86.55	0.75	0.86
7	A₂	1196	1124	0.00	3.66	0.75	0.86
8	A₂	1070	1005	0.00	0.10	0.75	0.86
9	B₁	3289	3091	28.24	12.11	0.75	0.86
10	B₁	1191	1120	2.99	11.04	0.75	0.86
11	B₁	835	785	0.00	6.00	0.75	0.86
12	B₂	3177	2986	22.57	7.96	0.75	0.86
13	B₂	1529	1437	0.11	5.31	0.75	0.86
14	B₂	1167	1097	1.05	2.09	0.75	0.86
15	B₂	884	831	8.96	3.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.852
C2	0.000	0.730	-0.371
C3	0.000	-0.730	-0.371
H4	0.918	1.261	-0.591
H5	-0.918	1.261	-0.591
H6	-0.918	-1.261	-0.591
H7	0.918	-1.261	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4252	1.4252	2.1252	2.1252	2.1252	2.1252
C2	1.4252		1.4606	1.0830	1.0830	2.2039	2.2039
C3	1.4252	1.4606		2.2039	2.2039	1.0830	1.0830
H4	2.1252	1.0830	2.2039		1.8362	3.1200	2.5225
H5	2.1252	1.0830	2.2039	1.8362		2.5225	3.1200
H6	2.1252	2.2039	1.0830	3.1200	2.5225		1.8362
H7	2.1252	2.2039	1.0830	2.5225	3.1200	1.8362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.176	O1	C2	H4	115.159
O1	C2	H5	115.159	O1	C3	C2	59.176
O1	C3	H6	115.159	O1	C3	H7	115.159
C2	O1	C3	61.648	C2	C3	H6	119.358
C2	C3	H7	119.358	C3	C2	H4	119.358
C3	C2	H5	119.358	H4	C2	H5	115.929
H6	C3	H7	115.929

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

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