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	hartrees
Energy at 0K	-153.810290
Energy at 298.15K
HF Energy	-153.810290
Nuclear repulsion energy	74.859286

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	3098	3098	17.16	255.52	0.06	0.12
2	A₁	1524	1524	2.55	2.53	0.30	0.46
3	A₁	1295	1295	14.54	31.70	0.11	0.20
4	A₁	1129	1129	0.05	3.55	0.16	0.27
5	A₁	880	880	71.88	8.46	0.74	0.85
6	A₂	3183	3183	0.00	116.55	0.75	0.86
7	A₂	1159	1159	0.00	0.80	0.75	0.86
8	A₂	1034	1034	0.00	0.02	0.75	0.86
9	B₁	3197	3197	41.41	23.32	0.75	0.86
10	B₁	1152	1152	3.72	3.42	0.75	0.86
11	B₁	806	806	0.20	3.17	0.75	0.86
12	B₂	3093	3093	37.33	10.74	0.75	0.86
13	B₂	1486	1486	0.11	3.37	0.75	0.86
14	B₂	1144	1144	0.24	0.35	0.75	0.86
15	B₂	831	831	10.74	3.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.859
C2	0.000	0.735	-0.376
C3	0.000	-0.735	-0.376
H4	0.925	1.274	-0.591
H5	-0.925	1.274	-0.591
H6	-0.925	-1.274	-0.591
H7	0.925	-1.274	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4378	1.4378	2.1410	2.1410	2.1410	2.1410
C2	1.4378		1.4709	1.0921	1.0921	2.2229	2.2229
C3	1.4378	1.4709		2.2229	2.2229	1.0921	1.0921
H4	2.1410	1.0921	2.2229		1.8505	3.1495	2.5486
H5	2.1410	1.0921	2.2229	1.8505		2.5486	3.1495
H6	2.1410	2.2229	1.0921	3.1495	2.5486		1.8505
H7	2.1410	2.2229	1.0921	2.5486	3.1495	1.8505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.235	O1	C2	H4	114.939
O1	C2	H5	114.939	O1	C3	C2	59.235
O1	C3	H6	114.939	O1	C3	H7	114.939
C2	O1	C3	61.530	C2	C3	H6	119.563
C2	C3	H7	119.563	C3	C2	H4	119.563
C3	C2	H5	119.563	H4	C2	H5	115.818
H6	C3	H7	115.818

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

using model chemistry: B3LYP/daug-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	-0.644
2	C	2.012
3	C	2.012
4	H	-0.845
5	H	-0.845
6	H	-0.845
7	H	-0.845

	x	y	z	Total
	0.000	0.000	-1.935	1.935
CHELPG
AIM
ESP

<r²>	36.960
(<r²>)^1/2	6.079

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

using model chemistry: B3LYP/daug-cc-pVDZ

States and conformations

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