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	hartrees
Energy at 0K	-152.933532
Energy at 298.15K
HF Energy	-152.933532
Nuclear repulsion energy	76.510318

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	3257	2952	13.69	220.07	0.08	0.15
2	A₁	1678	1521	4.05	2.23	0.17	0.29
3	A₁	1414	1282	18.81	31.40	0.14	0.24
4	A₁	1290	1169	4.23	3.31	0.18	0.31
5	A₁	977	886	91.99	10.96	0.68	0.81
6	A₂	3327	3015	0.00	106.68	0.75	0.86
7	A₂	1275	1156	0.00	1.21	0.75	0.86
8	A₂	1151	1044	0.00	0.07	0.75	0.86
9	B₁	3344	3031	55.02	13.96	0.75	0.86
10	B₁	1284	1164	8.22	5.72	0.75	0.86
11	B₁	877	795	0.16	3.17	0.75	0.86
12	B₂	3245	2941	50.16	7.99	0.75	0.86
13	B₂	1630	1477	0.01	3.80	0.75	0.86
14	B₂	1296	1175	0.01	0.76	0.75	0.86
15	B₂	966	876	12.25	6.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.832
C2	0.000	0.725	-0.363
C3	0.000	-0.725	-0.363
H4	0.908	1.259	-0.576
H5	-0.908	1.259	-0.576
H6	-0.908	-1.259	-0.576
H7	0.908	-1.259	-0.576

	O1	C2	C3	H4	H5	H6	H7
O1		1.3978	1.3978	2.0959	2.0959	2.0959	2.0959
C2	1.3978		1.4500	1.0751	1.0751	2.1926	2.1926
C3	1.3978	1.4500		2.1926	2.1926	1.0751	1.0751
H4	2.0959	1.0751	2.1926		1.8168	3.1054	2.5185
H5	2.0959	1.0751	2.1926	1.8168		2.5185	3.1054
H6	2.0959	2.1926	1.0751	3.1054	2.5185		1.8168
H7	2.0959	2.1926	1.0751	2.5185	3.1054	1.8168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.758	O1	C2	H4	115.272
O1	C2	H5	115.272	O1	C3	C2	58.758
O1	C3	H6	115.272	O1	C3	H7	115.272
C2	O1	C3	62.485	C2	C3	H6	119.796
C2	C3	H7	119.796	C3	C2	H4	119.796
C3	C2	H5	119.796	H4	C2	H5	115.331
H6	C3	H7	115.331

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

using model chemistry: HF/Def2TZVPP

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	-0.432
2	C	0.111
3	C	0.111
4	H	0.052
5	H	0.052
6	H	0.052
7	H	0.052

	x	y	z	Total
	0.000	0.000	-2.068	2.068
CHELPG
AIM
ESP

<r²>	35.715
(<r²>)^1/2	5.976

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

using model chemistry: HF/Def2TZVPP

States and conformations

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