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	hartrees
Energy at 0K	-152.887341
Energy at 298.15K
HF Energy	-152.887341
Nuclear repulsion energy	73.466492

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	3162	3002	3.43	167.92	0.10	0.18
2	A₁	1574	1495	0.01	5.94	0.75	0.85
3	A₁	1245	1183	7.32	20.21	0.14	0.25
4	A₁	1141	1084	10.52	4.31	0.40	0.57
5	A₁	855	812	29.62	10.68	0.74	0.85
6	A₂	3241	3077	0.00	94.87	0.75	0.86
7	A₂	1201	1141	0.00	5.91	0.75	0.86
8	A₂	1002	952	0.00	0.00	0.75	0.86
9	B₁	3260	3096	37.18	12.87	0.75	0.86
10	B₁	1123	1066	0.66	18.88	0.75	0.86
11	B₁	848	806	0.00	10.79	0.75	0.86
12	B₂	3151	2992	20.74	7.48	0.75	0.86
13	B₂	1551	1473	0.06	5.92	0.75	0.86
14	B₂	1136	1079	16.65	2.81	0.75	0.86
15	B₂	816	775	5.69	7.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.899
C2	0.000	0.742	-0.392
C3	0.000	-0.742	-0.392
H4	0.921	1.267	-0.623
H5	-0.921	1.267	-0.623
H6	-0.921	-1.267	-0.623
H7	0.921	-1.267	-0.623

	O1	C2	C3	H4	H5	H6	H7
O1		1.4891	1.4891	2.1836	2.1836	2.1836	2.1836
C2	1.4891		1.4837	1.0846	1.0846	2.2215	2.2215
C3	1.4891	1.4837		2.2215	2.2215	1.0846	1.0846
H4	2.1836	1.0846	2.2215		1.8413	3.1319	2.5335
H5	2.1836	1.0846	2.2215	1.8413		2.5335	3.1319
H6	2.1836	2.2215	1.0846	3.1319	2.5335		1.8413
H7	2.1836	2.2215	1.0846	2.5335	3.1319	1.8413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.121	O1	C2	H4	115.180
O1	C2	H5	115.180	O1	C3	C2	60.121
O1	C3	H6	115.180	O1	C3	H7	115.180
C2	O1	C3	59.758	C2	C3	H6	118.946
C2	C3	H7	118.946	C3	C2	H4	118.946
C3	C2	H5	118.946	H4	C2	H5	116.174
H6	C3	H7	116.174

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

using model chemistry: mPW1PW91/3-21G*

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	-0.438
2	C	-0.251
3	C	-0.251
4	H	0.235
5	H	0.235
6	H	0.235
7	H	0.235

	x	y	z	Total
	0.000	0.000	-2.350	2.350
CHELPG
AIM
ESP

<r²>	37.522
(<r²>)^1/2	6.126

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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