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	hartrees
Energy at 0K	-153.625742
Energy at 298.15K
HF Energy	-153.625742
Nuclear repulsion energy	74.441936

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	3026	3007	19.36	271.95	0.06	0.12
2	A₁	1474	1465	2.55	3.01	0.32	0.49
3	A₁	1269	1261	13.78	30.19	0.12	0.21
4	A₁	1093	1087	0.36	2.63	0.23	0.37
5	A₁	874	869	65.63	8.71	0.74	0.85
6	A₂	3108	3089	0.00	128.60	0.75	0.86
7	A₂	1119	1113	0.00	0.76	0.75	0.86
8	A₂	997	991	0.00	0.04	0.75	0.86
9	B₁	3123	3104	45.50	30.51	0.75	0.86
10	B₁	1114	1107	2.20	3.78	0.75	0.86
11	B₁	783	779	0.07	4.31	0.75	0.86
12	B₂	3020	3001	37.60	12.71	0.75	0.86
13	B₂	1435	1427	0.18	3.74	0.75	0.86
14	B₂	1098	1091	0.28	0.47	0.75	0.86
15	B₂	818	813	11.07	2.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.865
C2	0.000	0.738	-0.378
C3	0.000	-0.738	-0.378
H4	0.933	1.281	-0.596
H5	-0.933	1.281	-0.596
H6	-0.933	-1.281	-0.596
H7	0.933	-1.281	-0.596

	O1	C2	C3	H4	H5	H6	H7
O1		1.4453	1.4453	2.1554	2.1554	2.1554	2.1554
C2	1.4453		1.4759	1.1013	1.1013	2.2345	2.2345
C3	1.4453	1.4759		2.2345	2.2345	1.1013	1.1013
H4	2.1554	1.1013	2.2345		1.8664	3.1689	2.5610
H5	2.1554	1.1013	2.2345	1.8664		2.5610	3.1689
H6	2.1554	2.2345	1.1013	3.1689	2.5610		1.8664
H7	2.1554	2.2345	1.1013	2.5610	3.1689	1.8664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.298	O1	C2	H4	114.969
O1	C2	H5	114.969	O1	C3	C2	59.298
O1	C3	H6	114.969	O1	C3	H7	114.969
C2	O1	C3	61.404	C2	C3	H6	119.514
C2	C3	H7	119.514	C3	C2	H4	119.514
C3	C2	H5	119.514	H4	C2	H5	115.841
H6	C3	H7	115.841

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

using model chemistry: PBEPBEultrafine/aug-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	-0.523
2	C	1.154
3	C	1.154
4	H	-0.446
5	H	-0.446
6	H	-0.446
7	H	-0.446

	x	y	z	Total
	0.000	0.000	-1.792	1.792
CHELPG
AIM
ESP

<r²>	37.289
(<r²>)^1/2	6.106

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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