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	hartrees
Energy at 0K	-153.638373
Energy at 298.15K
HF Energy	-152.937593
Nuclear repulsion energy	75.613950

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	3171	3035	12.58	221.32	0.07	0.13
2	A₁	1558	1491	1.58	1.95	0.42	0.59
3	A₁	1320	1263	11.54	28.30	0.12	0.21
4	A₁	1156	1106	0.35	2.23	0.23	0.38
5	A₁	913	874	64.74	8.35	0.75	0.86
6	A₂	3262	3122	0.00	96.07	0.75	0.86
7	A₂	1187	1136	0.00	1.14	0.75	0.86
8	A₂	1063	1017	0.00	0.01	0.75	0.86
9	B₁	3276	3135	24.65	16.75	0.75	0.86
10	B₁	1183	1132	3.44	5.02	0.75	0.86
11	B₁	830	794	0.13	3.36	0.75	0.86
12	B₂	3164	3029	24.60	8.91	0.75	0.86
13	B₂	1523	1457	0.13	3.69	0.75	0.86
14	B₂	1166	1116	1.03	0.63	0.75	0.86
15	B₂	861	824	8.87	3.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.854
C2	0.000	0.727	-0.373
C3	0.000	-0.727	-0.373
H4	0.916	1.254	-0.588
H5	-0.916	1.254	-0.588
H6	-0.916	-1.254	-0.588
H7	0.916	-1.254	-0.588

	O1	C2	C3	H4	H5	H6	H7
O1		1.4263	1.4263	2.1190	2.1190	2.1190	2.1190
C2	1.4263		1.4550	1.0781	1.0781	2.1934	2.1934
C3	1.4263	1.4550		2.1934	2.1934	1.0781	1.0781
H4	2.1190	1.0781	2.1934		1.8318	3.1056	2.5078
H5	2.1190	1.0781	2.1934	1.8318		2.5078	3.1056
H6	2.1190	2.1934	1.0781	3.1056	2.5078		1.8318
H7	2.1190	2.1934	1.0781	2.5078	3.1056	1.8318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.332	O1	C2	H4	114.879
O1	C2	H5	114.879	O1	C3	C2	59.332
O1	C3	H6	114.879	O1	C3	H7	114.879
C2	O1	C3	61.337	C2	C3	H6	119.229
C2	C3	H7	119.229	C3	C2	H4	119.229
C3	C2	H5	119.229	H4	C2	H5	116.327
H6	C3	H7	116.327

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

using model chemistry: MP2=FULL/cc-pVQZ

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/cc-pVQZ

States and conformations

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