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	hartrees
Energy at 0K	-153.685660
Energy at 298.15K
HF Energy	-153.685660
Nuclear repulsion energy	75.680306

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	3110	2991	16.40	247.46	0.06	0.11
2	A₁	1542	1483	3.06	2.60	0.24	0.38
3	A₁	1324	1273	16.70	30.37	0.11	0.21
4	A₁	1157	1113	0.01	2.40	0.26	0.41
5	A₁	925	890	72.18	7.72	0.70	0.82
6	A₂	3186	3065	0.00	109.38	0.75	0.86
7	A₂	1174	1129	0.00	0.73	0.75	0.86
8	A₂	1054	1014	0.00	0.03	0.75	0.86
9	B₁	3201	3079	37.42	21.71	0.75	0.86
10	B₁	1178	1133	4.13	3.38	0.75	0.86
11	B₁	819	787	0.25	2.78	0.75	0.86
12	B₂	3102	2984	34.48	9.90	0.75	0.86
13	B₂	1499	1442	0.36	3.38	0.75	0.86
14	B₂	1166	1122	0.30	0.24	0.75	0.86
15	B₂	894	859	11.18	3.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.847
C2	0.000	0.729	-0.369
C3	0.000	-0.729	-0.369
H4	0.919	1.263	-0.588
H5	-0.919	1.263	-0.588
H6	-0.919	-1.263	-0.588
H7	0.919	-1.263	-0.588

	O1	C2	C3	H4	H5	H6	H7
O1		1.4176	1.4176	2.1210	2.1210	2.1210	2.1210
C2	1.4176		1.4578	1.0856	1.0856	2.2049	2.2049
C3	1.4176	1.4578		2.2049	2.2049	1.0856	1.0856
H4	2.1210	1.0856	2.2049		1.8387	3.1247	2.5265
H5	2.1210	1.0856	2.2049	1.8387		2.5265	3.1247
H6	2.1210	2.2049	1.0856	3.1247	2.5265		1.8387
H7	2.1210	2.2049	1.0856	2.5265	3.1247	1.8387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.055	O1	C2	H4	115.206
O1	C2	H5	115.206	O1	C3	C2	59.055
O1	C3	H6	115.206	O1	C3	H7	115.206
C2	O1	C3	61.889	C2	C3	H6	119.484
C2	C3	H7	119.484	C3	C2	H4	119.484
C3	C2	H5	119.484	H4	C2	H5	115.744
H6	C3	H7	115.744

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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	-0.324
3	C	-0.324
4	H	0.297
5	H	0.297
6	H	0.297
7	H	0.297

	x	y	z	Total
	0.000	0.000	-1.839	1.839
CHELPG
AIM
ESP

<r²>	36.290
(<r²>)^1/2	6.024

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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