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	hartrees
Energy at 0K	-153.706396
Energy at 298.15K
HF Energy	-153.706396
Nuclear repulsion energy	73.514561

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	3181	3181	11.98	215.08	0.08	0.14
2	A₁	1554	1554	0.24	4.35	0.52	0.68
3	A₁	1288	1288	10.62	31.85	0.14	0.25
4	A₁	1151	1151	5.80	6.77	0.21	0.35
5	A₁	841	841	63.51	13.06	0.68	0.81
6	A₂	3274	3274	0.00	87.78	0.75	0.86
7	A₂	1196	1196	0.00	4.91	0.75	0.86
8	A₂	1018	1018	0.00	0.01	0.75	0.86
9	B₁	3293	3293	56.47	12.72	0.75	0.86
10	B₁	1132	1132	1.45	13.00	0.75	0.86
11	B₁	836	836	2.38	8.12	0.75	0.86
12	B₂	3167	3167	39.81	12.92	0.75	0.86
13	B₂	1528	1528	2.02	5.23	0.75	0.86
14	B₂	1161	1161	13.19	0.75	0.75	0.86
15	B₂	797	797	5.19	13.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.892
C2	0.000	0.745	-0.392
C3	0.000	-0.745	-0.392
H4	0.920	1.279	-0.608
H5	-0.920	1.279	-0.608
H6	-0.920	-1.279	-0.608
H7	0.920	-1.279	-0.608

	O1	C2	C3	H4	H5	H6	H7
O1		1.4842	1.4842	2.1753	2.1753	2.1753	2.1753
C2	1.4842		1.4897	1.0853	1.0853	2.2335	2.2335
C3	1.4842	1.4897		2.2335	2.2335	1.0853	1.0853
H4	2.1753	1.0853	2.2335		1.8394	3.1506	2.5579
H5	2.1753	1.0853	2.2335	1.8394		2.5579	3.1506
H6	2.1753	2.2335	1.0853	3.1506	2.5579		1.8394
H7	2.1753	2.2335	1.0853	2.5579	3.1506	1.8394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.877	O1	C2	H4	114.797
O1	C2	H5	114.797	O1	C3	C2	59.877
O1	C3	H6	114.797	O1	C3	H7	114.797
C2	O1	C3	60.245	C2	C3	H6	119.479
C2	C3	H7	119.479	C3	C2	H4	119.479
C3	C2	H5	119.479	H4	C2	H5	115.861
H6	C3	H7	115.861

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

using model chemistry: wB97X-D/SDD

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	-0.349
2	C	-0.256
3	C	-0.256
4	H	0.215
5	H	0.215
6	H	0.215
7	H	0.215

	x	y	z	Total
	0.000	0.000	-2.667	2.667
CHELPG
AIM
ESP

<r²>	37.509
(<r²>)^1/2	6.124

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

using model chemistry: wB97X-D/SDD

States and conformations

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