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	hartrees
Energy at 0K	-153.661328
Energy at 298.15K
HF Energy	-153.496884
Nuclear repulsion energy	74.743310

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	3131	3131	16.50	249.16	0.06	0.11
2	A₁	1533	1533	2.14	2.76	0.26	0.41
3	A₁	1297	1297	11.92	32.48	0.10	0.19
4	A₁	1133	1133	0.22	4.78	0.12	0.21
5	A₁	878	878	71.67	8.39	0.75	0.86
6	A₂	3221	3221	0.00	109.64	0.75	0.86
7	A₂	1168	1168	0.00	0.83	0.75	0.86
8	A₂	1038	1038	0.00	0.01	0.75	0.86
9	B₁	3235	3235	36.21	21.93	0.75	0.86
10	B₁	1153	1153	3.63	3.23	0.75	0.86
11	B₁	810	810	0.21	2.87	0.75	0.86
12	B₂	3125	3125	33.89	10.33	0.75	0.86
13	B₂	1496	1496	0.06	3.18	0.75	0.86
14	B₂	1149	1149	0.25	0.31	0.75	0.86
15	B₂	818	818	9.63	3.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.863
C2	0.000	0.735	-0.379
C3	0.000	-0.735	-0.379
H4	0.925	1.272	-0.591
H5	-0.925	1.272	-0.591
H6	-0.925	-1.272	-0.591
H7	0.925	-1.272	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4434	1.4434	2.1425	2.1425	2.1425	2.1425
C2	1.4434		1.4705	1.0907	1.0907	2.2205	2.2205
C3	1.4434	1.4705		2.2205	2.2205	1.0907	1.0907
H4	2.1425	1.0907	2.2205		1.8508	3.1459	2.5439
H5	2.1425	1.0907	2.2205	1.8508		2.5439	3.1459
H6	2.1425	2.2205	1.0907	3.1459	2.5439		1.8508
H7	2.1425	2.2205	1.0907	2.5439	3.1459	1.8508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.376	O1	C2	H4	114.731
O1	C2	H5	114.731	O1	C3	C2	59.376
O1	C3	H6	114.731	O1	C3	H7	114.731
C2	O1	C3	61.248	C2	C3	H6	119.477
C2	C3	H7	119.477	C3	C2	H4	119.477
C3	C2	H5	119.477	H4	C2	H5	116.089
H6	C3	H7	116.089

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

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

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: B2PLYP=FULLultrafine/daug-cc-pVDZ

States and conformations

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