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	hartrees
Energy at 0K	-153.811099
Energy at 298.15K
HF Energy	-153.811099
Nuclear repulsion energy	75.698653

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	3116	3116	16.31	243.79	0.06	0.11
2	A₁	1546	1546	3.04	2.50	0.25	0.40
3	A₁	1325	1325	16.68	30.28	0.11	0.20
4	A₁	1161	1161	0.01	2.57	0.22	0.36
5	A₁	923	923	72.11	7.69	0.70	0.82
6	A₂	3192	3192	0.00	107.60	0.75	0.86
7	A₂	1177	1177	0.00	0.77	0.75	0.86
8	A₂	1057	1057	0.00	0.03	0.75	0.86
9	B₁	3207	3207	37.48	21.15	0.75	0.86
10	B₁	1180	1180	4.24	3.35	0.75	0.86
11	B₁	821	821	0.25	2.68	0.75	0.86
12	B₂	3108	3108	34.64	9.79	0.75	0.86
13	B₂	1505	1505	0.31	3.40	0.75	0.86
14	B₂	1170	1170	0.26	0.24	0.75	0.86
15	B₂	892	892	11.09	3.33	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	0.918	1.263	-0.587
H5	-0.918	1.263	-0.587
H6	-0.918	-1.263	-0.587
H7	0.918	-1.263	-0.587

	O1	C2	C3	H4	H5	H6	H7
O1		1.4175	1.4175	2.1200	2.1200	2.1200	2.1200
C2	1.4175		1.4580	1.0845	1.0845	2.2042	2.2042
C3	1.4175	1.4580		2.2042	2.2042	1.0845	1.0845
H4	2.1200	1.0845	2.2042		1.8367	3.1230	2.5258
H5	2.1200	1.0845	2.2042	1.8367		2.5258	3.1230
H6	2.1200	2.2042	1.0845	3.1230	2.5258		1.8367
H7	2.1200	2.2042	1.0845	2.5258	3.1230	1.8367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.052	O1	C2	H4	115.200
O1	C2	H5	115.200	O1	C3	C2	59.052
O1	C3	H6	115.200	O1	C3	H7	115.200
C2	O1	C3	61.896	C2	C3	H6	119.493
C2	C3	H7	119.493	C3	C2	H4	119.493
C3	C2	H5	119.493	H4	C2	H5	115.737
H6	C3	H7	115.737

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

using model chemistry: mPW1PW91/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	-0.909
2	C	-0.491
3	C	-0.491
4	H	0.473
5	H	0.473
6	H	0.473
7	H	0.473

	x	y	z	Total
	0.000	0.000	-1.850	1.850
CHELPG
AIM
ESP

<r²>	36.241
(<r²>)^1/2	6.020

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

using model chemistry: mPW1PW91/daug-cc-pVTZ

States and conformations

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