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	hartrees
Energy at 0K	-153.663910
Energy at 298.15K
HF Energy	-153.663910
Nuclear repulsion energy	75.602759

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	3107	2984	12.62	220.82	0.09	0.17
2	A₁	1548	1486	3.87	1.50	0.60	0.75
3	A₁	1328	1276	16.10	25.85	0.16	0.28
4	A₁	1154	1108	0.03	0.72	0.64	0.78
5	A₁	926	889	70.10	10.84	0.73	0.84
6	A₂	3183	3057	0.00	116.55	0.75	0.86
7	A₂	1172	1125	0.00	2.67	0.75	0.86
8	A₂	1048	1007	0.00	0.09	0.75	0.86
9	B₁	3198	3071	56.81	17.87	0.75	0.86
10	B₁	1178	1132	4.09	10.66	0.75	0.86
11	B₁	820	787	0.02	6.13	0.75	0.86
12	B₂	3097	2975	40.44	10.18	0.75	0.86
13	B₂	1502	1442	0.02	6.16	0.75	0.86
14	B₂	1142	1097	2.71	1.96	0.75	0.86
15	B₂	893	858	12.37	3.74	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	0.920	1.266	-0.591
H5	-0.920	1.266	-0.591
H6	-0.920	-1.266	-0.591
H7	0.920	-1.266	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4172	1.4172	2.1253	2.1253	2.1253	2.1253
C2	1.4172		1.4612	1.0879	1.0879	2.2098	2.2098
C3	1.4172	1.4612		2.2098	2.2098	1.0879	1.0879
H4	2.1253	1.0879	2.2098		1.8407	3.1303	2.5320
H5	2.1253	1.0879	2.2098	1.8407		2.5320	3.1303
H6	2.1253	2.2098	1.0879	3.1303	2.5320		1.8407
H7	2.1253	2.2098	1.0879	2.5320	3.1303	1.8407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.967	O1	C2	H4	115.441
O1	C2	H5	115.441	O1	C3	C2	58.967
O1	C3	H6	115.441	O1	C3	H7	115.441
C2	O1	C3	62.066	C2	C3	H6	119.480
C2	C3	H7	119.480	C3	C2	H4	119.480
C3	C2	H5	119.480	H4	C2	H5	115.555
H6	C3	H7	115.555

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

using model chemistry: HSEh1PBE/6-311G**

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	-0.300
2	C	-0.110
3	C	-0.110
4	H	0.130
5	H	0.130
6	H	0.130
7	H	0.130

	x	y	z	Total
	0.000	0.000	-1.925	1.925
CHELPG
AIM
ESP

<r²>	36.222
(<r²>)^1/2	6.018

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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