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	hartrees
Energy at 0K	-153.788681
Energy at 298.15K
HF Energy	-153.788681
Nuclear repulsion energy	75.604893

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	3095	2963	16.41	221.77	0.07	0.13
2	A₁	1538	1472	2.86	2.94	0.26	0.41
3	A₁	1317	1261	16.57	28.89	0.12	0.21
4	A₁	1155	1105	0.00	2.58	0.22	0.36
5	A₁	915	876	70.88	8.05	0.71	0.83
6	A₂	3170	3035	0.00	108.94	0.75	0.86
7	A₂	1171	1121	0.00	1.26	0.75	0.86
8	A₂	1052	1007	0.00	0.04	0.75	0.86
9	B₁	3186	3050	39.21	20.86	0.75	0.86
10	B₁	1176	1126	3.94	3.86	0.75	0.86
11	B₁	818	783	0.27	2.76	0.75	0.86
12	B₂	3087	2955	35.21	9.80	0.75	0.86
13	B₂	1499	1435	0.29	3.44	0.75	0.86
14	B₂	1163	1114	0.32	0.28	0.75	0.86
15	B₂	882	844	10.56	3.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.848
C2	0.000	0.730	-0.369
C3	0.000	-0.730	-0.369
H4	0.919	1.266	-0.587
H5	-0.919	1.266	-0.587
H6	-0.919	-1.266	-0.587
H7	0.919	-1.266	-0.587

	O1	C2	C3	H4	H5	H6	H7
O1		1.4190	1.4190	2.1228	2.1228	2.1228	2.1228
C2	1.4190		1.4599	1.0860	1.0860	2.2080	2.2080
C3	1.4190	1.4599		2.2080	2.2080	1.0860	1.0860
H4	2.1228	1.0860	2.2080		1.8382	3.1285	2.5315
H5	2.1228	1.0860	2.2080	1.8382		2.5315	3.1285
H6	2.1228	2.2080	1.0860	3.1285	2.5315		1.8382
H7	2.1228	2.2080	1.0860	2.5315	3.1285	1.8382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.044	O1	C2	H4	115.217
O1	C2	H5	115.217	O1	C3	C2	59.044
O1	C3	H6	115.217	O1	C3	H7	115.217
C2	O1	C3	61.913	C2	C3	H6	119.564
C2	C3	H7	119.564	C3	C2	H4	119.564
C3	C2	H5	119.564	H4	C2	H5	115.621
H6	C3	H7	115.621

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

using model chemistry: B3PW91/6-311+G(3df,2p)

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	-0.538
2	C	0.029
3	C	0.029
4	H	0.120
5	H	0.120
6	H	0.120
7	H	0.120

	x	y	z	Total
	0.000	0.000	-1.870	1.870
CHELPG
AIM
ESP

<r²>	36.306
(<r²>)^1/2	6.025

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

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

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