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	hartrees
Energy at 0K	-153.608080
Energy at 298.15K
HF Energy	-153.608080
Nuclear repulsion energy	74.577488

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	3005	2987	13.04	247.39	0.09	0.16
2	A₁	1474	1466	4.44	2.86	0.71	0.83
3	A₁	1274	1267	11.01	25.58	0.20	0.33
4	A₁	1093	1087	0.08	1.16	0.67	0.81
5	A₁	884	879	53.48	11.10	0.73	0.84
6	A₂	3081	3063	0.00	138.70	0.75	0.86
7	A₂	1119	1113	0.00	4.59	0.75	0.86
8	A₂	990	984	0.00	0.10	0.75	0.86
9	B₁	3097	3079	64.12	22.55	0.75	0.86
10	B₁	1116	1110	1.99	14.46	0.75	0.86
11	B₁	783	779	0.05	9.23	0.75	0.86
12	B₂	2995	2978	40.94	12.27	0.75	0.86
13	B₂	1425	1417	0.33	7.86	0.75	0.86
14	B₂	1079	1073	1.39	3.13	0.75	0.86
15	B₂	836	831	13.56	2.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.861
C2	0.000	0.738	-0.372
C3	0.000	-0.738	-0.372
H4	0.934	1.281	-0.605
H5	-0.934	1.281	-0.605
H6	-0.934	-1.281	-0.605
H7	0.934	-1.281	-0.605

	O1	C2	C3	H4	H5	H6	H7
O1		1.4370	1.4370	2.1595	2.1595	2.1595	2.1595
C2	1.4370		1.4759	1.1057	1.1057	2.2372	2.2372
C3	1.4370	1.4759		2.2372	2.2372	1.1057	1.1057
H4	2.1595	1.1057	2.2372		1.8689	3.1718	2.5627
H5	2.1595	1.1057	2.2372	1.8689		2.5627	3.1718
H6	2.1595	2.2372	1.1057	3.1718	2.5627		1.8689
H7	2.1595	2.2372	1.1057	2.5627	3.1718	1.8689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.101	O1	C2	H4	115.654
O1	C2	H5	115.654	O1	C3	C2	59.101
O1	C3	H6	115.654	O1	C3	H7	115.654
C2	O1	C3	61.798	C2	C3	H6	119.437
C2	C3	H7	119.437	C3	C2	H4	119.437
C3	C2	H5	119.437	H4	C2	H5	115.364
H6	C3	H7	115.364

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.250
2	C	0.047
3	C	0.047
4	H	0.039
5	H	0.039
6	H	0.039
7	H	0.039

	x	y	z	Total
	0.000	0.000	-1.668	1.668
CHELPG
AIM
ESP

<r²>	36.946
(<r²>)^1/2	6.078

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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