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	hartrees
Energy at 0K	-29.635704
Energy at 298.15K
HF Energy	-29.635704
Nuclear repulsion energy	42.184304

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	3138	3138	22.35	228.34	0.10	0.18
2	A₁	1565	1565	4.71	7.52	0.17	0.29
3	A₁	1327	1327	11.84	34.59	0.20	0.33
4	A₁	1169	1169	0.45	1.90	0.42	0.59
5	A₁	930	930	84.91	11.54	0.75	0.86
6	A₂	3210	3210	0.00	107.36	0.75	0.86
7	A₂	1166	1166	0.00	2.73	0.75	0.86
8	A₂	1046	1046	0.00	0.18	0.75	0.86
9	B₁	3228	3228	97.67	17.86	0.75	0.86
10	B₁	1174	1174	3.06	10.87	0.75	0.86
11	B₁	814	814	0.53	7.13	0.75	0.86
12	B₂	3129	3129	72.81	12.68	0.75	0.86
13	B₂	1508	1508	0.21	5.65	0.75	0.86
14	B₂	1139	1139	1.99	0.94	0.75	0.86
15	B₂	914	914	10.09	9.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.852
C2	0.000	0.744	-0.372
C3	0.000	-0.744	-0.372
H4	0.928	1.283	-0.589
H5	-0.928	1.283	-0.589
H6	-0.928	-1.283	-0.589
H7	0.928	-1.283	-0.589

	O1	C2	C3	H4	H5	H6	H7
O1		1.4322	1.4322	2.1413	2.1413	2.1413	2.1413
C2	1.4322		1.4871	1.0956	1.0956	2.2399	2.2399
C3	1.4322	1.4871		2.2399	2.2399	1.0956	1.0956
H4	2.1413	1.0956	2.2399		1.8569	3.1680	2.5668
H5	2.1413	1.0956	2.2399	1.8569		2.5668	3.1680
H6	2.1413	2.2399	1.0956	3.1680	2.5668		1.8569
H7	2.1413	2.2399	1.0956	2.5668	3.1680	1.8569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.724	O1	C2	H4	115.146
O1	C2	H5	115.146	O1	C3	C2	58.724
O1	C3	H6	115.146	O1	C3	H7	115.146
C2	O1	C3	62.552	C2	C3	H6	119.520
C2	C3	H7	119.520	C3	C2	H4	119.520
C3	C2	H5	119.520	H4	C2	H5	115.857
H6	C3	H7	115.857

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

using model chemistry: wB97X-D/CEP-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	-0.208
2	C	-0.247
3	C	-0.247
4	H	0.175
5	H	0.175
6	H	0.175
7	H	0.175

	x	y	z	Total
	0.000	0.000	-2.120	2.120
CHELPG
AIM
ESP

<r²>	32.375
(<r²>)^1/2	5.690

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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