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	hartrees
Energy at 0K	-153.685856
Energy at 298.15K
HF Energy	-153.685856
Nuclear repulsion energy	75.681837

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	3109	3109	16.41	247.83	0.06	0.11
2	A₁	1541	1541	3.10	2.54	0.23	0.38
3	A₁	1324	1324	16.67	30.43	0.11	0.21
4	A₁	1157	1157	0.01	2.47	0.24	0.39
5	A₁	925	925	72.22	7.65	0.70	0.82
6	A₂	3186	3186	0.00	109.15	0.75	0.86
7	A₂	1174	1174	0.00	0.73	0.75	0.86
8	A₂	1054	1054	0.00	0.03	0.75	0.86
9	B₁	3201	3201	37.52	21.66	0.75	0.86
10	B₁	1177	1177	4.14	3.34	0.75	0.86
11	B₁	818	818	0.24	2.76	0.75	0.86
12	B₂	3102	3102	34.49	9.92	0.75	0.86
13	B₂	1499	1499	0.35	3.41	0.75	0.86
14	B₂	1166	1166	0.29	0.24	0.75	0.86
15	B₂	893	893	11.22	3.20	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		1.4175	1.4175	2.1210	2.1210	2.1210	2.1210
C2	1.4175		1.4578	1.0856	1.0856	2.2049	2.2049
C3	1.4175	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	59.054	O1	C2	H4	115.210
O1	C2	H5	115.210	O1	C3	C2	59.054
O1	C3	H6	115.210	O1	C3	H7	115.210
C2	O1	C3	61.893	C2	C3	H6	119.484
C2	C3	H7	119.484	C3	C2	H4	119.484
C3	C2	H5	119.484	H4	C2	H5	115.740
H6	C3	H7	115.740

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

using model chemistry: HSEh1PBE/daug-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	-0.824
2	C	-0.558
3	C	-0.558
4	H	0.485
5	H	0.485
6	H	0.485
7	H	0.485

	x	y	z	Total
	0.000	0.000	-1.837	1.837
CHELPG
AIM
ESP

<r²>	36.288
(<r²>)^1/2	6.024

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

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

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