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	hartrees
Energy at 0K	-153.631544
Energy at 298.15K
HF Energy	-153.631544
Nuclear repulsion energy	75.397108

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	3108	2989	10.61	231.07	0.09	0.17
2	A₁	1534	1476	5.00	2.16	0.46	0.63
3	A₁	1328	1277	13.87	26.47	0.20	0.34
4	A₁	1151	1107	0.47	0.86	0.63	0.77
5	A₁	928	892	62.57	10.97	0.72	0.84
6	A₂	3190	3068	0.00	125.84	0.75	0.86
7	A₂	1160	1116	0.00	3.65	0.75	0.86
8	A₂	1035	996	0.00	0.11	0.75	0.86
9	B₁	3205	3083	51.78	18.31	0.75	0.86
10	B₁	1166	1121	3.46	12.53	0.75	0.86
11	B₁	813	782	0.00	7.23	0.75	0.86
12	B₂	3097	2979	35.69	10.20	0.75	0.86
13	B₂	1476	1420	0.04	6.68	0.75	0.86
14	B₂	1133	1090	0.98	2.21	0.75	0.86
15	B₂	898	864	11.89	3.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.848
C2	0.000	0.732	-0.367
C3	0.000	-0.732	-0.367
H4	0.927	1.271	-0.595
H5	-0.927	1.271	-0.595
H6	-0.927	-1.271	-0.595
H7	0.927	-1.271	-0.595

	O1	C2	C3	H4	H5	H6	H7
O1		1.4182	1.4182	2.1346	2.1346	2.1346	2.1346
C2	1.4182		1.4639	1.0964	1.0964	2.2190	2.2190
C3	1.4182	1.4639		2.2190	2.2190	1.0964	1.0964
H4	2.1346	1.0964	2.2190		1.8539	3.1466	2.5425
H5	2.1346	1.0964	2.2190	1.8539		2.5425	3.1466
H6	2.1346	2.2190	1.0964	3.1466	2.5425		1.8539
H7	2.1346	2.2190	1.0964	2.5425	3.1466	1.8539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.929	O1	C2	H4	115.585
O1	C2	H5	115.585	O1	C3	C2	58.929
O1	C3	H6	115.585	O1	C3	H7	115.585
C2	O1	C3	62.143	C2	C3	H6	119.465
C2	C3	H7	119.465	C3	C2	H4	119.465
C3	C2	H5	119.465	H4	C2	H5	115.451
H6	C3	H7	115.451

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

using model chemistry: HSEh1PBE/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	-0.283
2	C	0.040
3	C	0.040
4	H	0.051
5	H	0.051
6	H	0.051
7	H	0.051

	x	y	z	Total
	0.000	0.000	-1.797	1.797
CHELPG
AIM
ESP

<r²>	36.329
(<r²>)^1/2	6.027

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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