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	hartrees
Energy at 0K	-153.513536
Energy at 298.15K
HF Energy	-153.407186
Nuclear repulsion energy	73.150193

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	3175	3175	3.99	192.15	0.09	0.17
2	A₁	1575	1575	0.30	6.50	0.73	0.84
3	A₁	1274	1274	5.08	19.37	0.13	0.22
4	A₁	1149	1149	5.01	8.46	0.34	0.51
5	A₁	813	813	41.15	12.37	0.65	0.79
6	A₂	3258	3258	0.00	103.78	0.75	0.86
7	A₂	1220	1220	0.00	5.82	0.75	0.86
8	A₂	1015	1015	0.00	0.00	0.75	0.86
9	B₁	3275	3275	43.52	13.30	0.75	0.86
10	B₁	1120	1120	1.45	18.14	0.75	0.86
11	B₁	844	844	0.04	10.61	0.75	0.86
12	B₂	3165	3165	21.13	8.33	0.75	0.86
13	B₂	1557	1557	0.02	5.67	0.75	0.86
14	B₂	1164	1164	9.64	4.02	0.75	0.86
15	B₂	733	733	4.93	8.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.908
C2	0.000	0.740	-0.401
C3	0.000	-0.740	-0.401
H4	0.917	1.277	-0.614
H5	-0.917	1.277	-0.614
H6	-0.917	-1.277	-0.614
H7	0.917	-1.277	-0.614

	O1	C2	C3	H4	H5	H6	H7
O1		1.5034	1.5034	2.1888	2.1888	2.1888	2.1888
C2	1.5034		1.4792	1.0845	1.0845	2.2259	2.2259
C3	1.5034	1.4792		2.2259	2.2259	1.0845	1.0845
H4	2.1888	1.0845	2.2259		1.8346	3.1449	2.5544
H5	2.1888	1.0845	2.2259	1.8346		2.5544	3.1449
H6	2.1888	2.2259	1.0845	3.1449	2.5544		1.8346
H7	2.1888	2.2259	1.0845	2.5544	3.1449	1.8346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.530	O1	C2	H4	114.544
O1	C2	H5	114.544	O1	C3	C2	60.530
O1	C3	H6	114.544	O1	C3	H7	114.544
C2	O1	C3	58.939	C2	C3	H6	119.716
C2	C3	H7	119.716	C3	C2	H4	119.716
C3	C2	H5	119.716	H4	C2	H5	115.527
H6	C3	H7	115.527

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

using model chemistry: B2PLYP/6-31G

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	-0.478
2	C	-0.086
3	C	-0.086
4	H	0.163
5	H	0.163
6	H	0.163
7	H	0.163

	x	y	z	Total
	0.000	0.000	-2.610	2.610
CHELPG
AIM
ESP

<r²>	37.938
(<r²>)^1/2	6.159

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

using model chemistry: B2PLYP/6-31G

States and conformations

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