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	hartrees
Energy at 0K	-153.615344
Energy at 298.15K
HF Energy	-153.615344
Nuclear repulsion energy	74.592487

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	3031	2997	17.15	232.52	0.09	0.17
2	A₁	1494	1477	4.72	3.18	0.57	0.73
3	A₁	1274	1259	13.17	30.45	0.14	0.25
4	A₁	1106	1093	0.20	1.29	0.18	0.31
5	A₁	881	871	72.42	11.37	0.74	0.85
6	A₂	3108	3072	0.00	127.68	0.75	0.86
7	A₂	1136	1123	0.00	2.82	0.75	0.86
8	A₂	1004	992	0.00	0.27	0.75	0.86
9	B₁	3122	3086	50.66	30.69	0.75	0.86
10	B₁	1127	1114	2.17	6.35	0.75	0.86
11	B₁	792	783	0.09	5.62	0.75	0.86
12	B₂	3025	2991	38.00	13.38	0.75	0.86
13	B₂	1458	1441	0.04	7.34	0.75	0.86
14	B₂	1104	1091	1.81	1.66	0.75	0.86
15	B₂	832	822	12.43	3.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.862
C2	0.000	0.738	-0.376
C3	0.000	-0.738	-0.376
H4	0.929	1.280	-0.596
H5	-0.929	1.280	-0.596
H6	-0.929	-1.280	-0.596
H7	0.929	-1.280	-0.596

	O1	C2	C3	H4	H5	H6	H7
O1		1.4415	1.4415	2.1514	2.1514	2.1514	2.1514
C2	1.4415		1.4759	1.0981	1.0981	2.2323	2.2323
C3	1.4415	1.4759		2.2323	2.2323	1.0981	1.0981
H4	2.1514	1.0981	2.2323		1.8587	3.1633	2.5596
H5	2.1514	1.0981	2.2323	1.8587		2.5596	3.1633
H6	2.1514	2.2323	1.0981	3.1633	2.5596		1.8587
H7	2.1514	2.2323	1.0981	2.5596	3.1633	1.8587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.210	O1	C2	H4	115.133
O1	C2	H5	115.133	O1	C3	C2	59.210
O1	C3	H6	115.133	O1	C3	H7	115.133
C2	O1	C3	61.581	C2	C3	H6	119.569
C2	C3	H7	119.569	C3	C2	H4	119.569
C3	C2	H5	119.569	H4	C2	H5	115.638
H6	C3	H7	115.638

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

using model chemistry: PBEPBE/6-31+G**

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	-0.286
2	C	-0.179
3	C	-0.179
4	H	0.161
5	H	0.161
6	H	0.161
7	H	0.161

	x	y	z	Total
	0.000	0.000	-2.000	2.000
CHELPG
AIM
ESP

<r²>	37.177
(<r²>)^1/2	6.097

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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