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	hartrees
Energy at 0K	-153.623262
Energy at 298.15K
HF Energy	-153.623262
Nuclear repulsion energy	75.514349

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	3134	2980	12.10	194.78	0.10	0.17
2	A₁	1578	1501	4.42	3.12	0.72	0.84
3	A₁	1339	1273	13.25	24.03	0.17	0.29
4	A₁	1176	1118	0.15	1.41	0.53	0.69
5	A₁	937	891	61.27	11.75	0.74	0.85
6	A₂	3208	3051	0.00	107.83	0.75	0.86
7	A₂	1191	1132	0.00	4.85	0.75	0.86
8	A₂	1054	1003	0.00	0.21	0.75	0.86
9	B₁	3223	3065	58.01	15.10	0.75	0.86
10	B₁	1186	1127	2.74	15.31	0.75	0.86
11	B₁	825	785	0.06	9.08	0.75	0.86
12	B₂	3125	2972	38.91	9.76	0.75	0.86
13	B₂	1530	1455	0.54	6.92	0.75	0.86
14	B₂	1151	1095	2.21	3.62	0.75	0.86
15	B₂	909	864	13.66	4.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.847
C2	0.000	0.731	-0.368
C3	0.000	-0.731	-0.368
H4	0.921	1.270	-0.591
H5	-0.921	1.270	-0.591
H6	-0.921	-1.270	-0.591
H7	0.921	-1.270	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4184	1.4184	2.1284	2.1284	2.1284	2.1284
C2	1.4184		1.4624	1.0900	1.0900	2.2142	2.2142
C3	1.4184	1.4624		2.2142	2.2142	1.0900	1.0900
H4	2.1284	1.0900	2.2142		1.8418	3.1375	2.5400
H5	2.1284	1.0900	2.2142	1.8418		2.5400	3.1375
H6	2.1284	2.2142	1.0900	3.1375	2.5400		1.8418
H7	2.1284	2.2142	1.0900	2.5400	3.1375	1.8418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.968	O1	C2	H4	115.480
O1	C2	H5	115.480	O1	C3	C2	58.968
O1	C3	H6	115.480	O1	C3	H7	115.480
C2	O1	C3	62.063	C2	C3	H6	119.623
C2	C3	H7	119.623	C3	C2	H4	119.623
C3	C2	H5	119.623	H4	C2	H5	115.313
H6	C3	H7	115.313

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

using model chemistry: HSEh1PBE/6-31G*

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	-0.422
2	C	-0.143
3	C	-0.143
4	H	0.177
5	H	0.177
6	H	0.177
7	H	0.177

	x	y	z	Total
	0.000	0.000	-1.938	1.938
CHELPG
AIM
ESP

<r²>	36.197
(<r²>)^1/2	6.016

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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