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	hartrees
Energy at 0K	-153.799397
Energy at 298.15K
HF Energy	-153.799397
Nuclear repulsion energy	74.456578

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	3009	3009	19.10	271.02	0.06	0.12
2	A₁	1490	1490	2.25	2.44	0.63	0.77
3	A₁	1245	1245	13.63	29.16	0.11	0.20
4	A₁	1101	1101	0.13	4.94	0.13	0.23
5	A₁	839	839	65.73	8.43	0.75	0.86
6	A₂	3078	3078	0.00	128.02	0.75	0.86
7	A₂	1145	1145	0.00	0.84	0.75	0.86
8	A₂	1010	1010	0.00	0.02	0.75	0.86
9	B₁	3093	3093	48.34	30.03	0.75	0.86
10	B₁	1125	1125	2.73	3.51	0.75	0.86
11	B₁	797	797	0.10	3.80	0.75	0.86
12	B₂	3005	3005	41.20	12.95	0.75	0.86
13	B₂	1467	1467	0.00	3.97	0.75	0.86
14	B₂	1124	1124	0.36	0.33	0.75	0.86
15	B₂	775	775	10.76	2.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.870
C2	0.000	0.737	-0.381
C3	0.000	-0.737	-0.381
H4	0.924	1.276	-0.597
H5	-0.924	1.276	-0.597
H6	-0.924	-1.276	-0.597
H7	0.924	-1.276	-0.597

	O1	C2	C3	H4	H5	H6	H7
O1		1.4513	1.4513	2.1527	2.1527	2.1527	2.1527
C2	1.4513		1.4747	1.0911	1.0911	2.2260	2.2260
C3	1.4513	1.4747		2.2260	2.2260	1.0911	1.0911
H4	2.1527	1.0911	2.2260		1.8471	3.1509	2.5526
H5	2.1527	1.0911	2.2260	1.8471		2.5526	3.1509
H6	2.1527	2.2260	1.0911	3.1509	2.5526		1.8471
H7	2.1527	2.2260	1.0911	2.5526	3.1509	1.8471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.465	O1	C2	H4	114.973
O1	C2	H5	114.973	O1	C3	C2	59.465
O1	C3	H6	114.973	O1	C3	H7	114.973
C2	O1	C3	61.069	C2	C3	H6	119.601
C2	C3	H7	119.601	C3	C2	H4	119.601
C3	C2	H5	119.601	H4	C2	H5	115.655
H6	C3	H7	115.655

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

using model chemistry: BLYP/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	-0.818
2	C	-0.505
3	C	-0.505
4	H	0.457
5	H	0.457
6	H	0.457
7	H	0.457

	x	y	z	Total
	0.000	0.000	-1.883	1.883
CHELPG
AIM
ESP

<r²>	37.315
(<r²>)^1/2	6.109

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

using model chemistry: BLYP/daug-cc-pVTZ

States and conformations

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