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	hartrees
Energy at 0K	-153.732891
Energy at 298.15K
HF Energy	-153.732891
Nuclear repulsion energy	75.582265

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	3136	3000	14.19	215.17	0.10	0.17
2	A₁	1557	1489	5.34	3.12	0.37	0.54
3	A₁	1333	1275	15.43	31.01	0.14	0.25
4	A₁	1167	1116	0.06	1.10	0.22	0.36
5	A₁	931	890	76.85	11.39	0.72	0.84
6	A₂	3217	3078	0.00	115.12	0.75	0.86
7	A₂	1176	1125	0.00	2.70	0.75	0.86
8	A₂	1050	1005	0.00	0.26	0.75	0.86
9	B₁	3231	3091	43.91	22.95	0.75	0.86
10	B₁	1178	1127	3.93	6.59	0.75	0.86
11	B₁	820	785	0.16	4.67	0.75	0.86
12	B₂	3128	2992	34.67	10.97	0.75	0.86
13	B₂	1509	1444	0.01	6.57	0.75	0.86
14	B₂	1159	1109	1.11	1.63	0.75	0.86
15	B₂	907	868	11.59	4.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.847
C2	0.000	0.731	-0.369
C3	0.000	-0.731	-0.369
H4	0.920	1.267	-0.586
H5	-0.920	1.267	-0.586
H6	-0.920	-1.267	-0.586
H7	0.920	-1.267	-0.586

	O1	C2	C3	H4	H5	H6	H7
O1		1.4186	1.4186	2.1223	2.1223	2.1223	2.1223
C2	1.4186		1.4623	1.0865	1.0865	2.2104	2.2104
C3	1.4186	1.4623		2.2104	2.2104	1.0865	1.0865
H4	2.1223	1.0865	2.2104		1.8399	3.1316	2.5341
H5	2.1223	1.0865	2.2104	1.8399		2.5341	3.1316
H6	2.1223	2.2104	1.0865	3.1316	2.5341		1.8399
H7	2.1223	2.2104	1.0865	2.5341	3.1316	1.8399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.977	O1	C2	H4	115.169
O1	C2	H5	115.169	O1	C3	C2	58.977
O1	C3	H6	115.169	O1	C3	H7	115.169
C2	O1	C3	62.047	C2	C3	H6	119.552
C2	C3	H7	119.552	C3	C2	H4	119.552
C3	C2	H5	119.552	H4	C2	H5	115.706
H6	C3	H7	115.706

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

using model chemistry: B1B95/6-31+G**

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	-0.329
2	C	-0.140
3	C	-0.140
4	H	0.153
5	H	0.153
6	H	0.153
7	H	0.153

	x	y	z	Total
	0.000	0.000	-2.086	2.086
CHELPG
AIM
ESP

<r²>	36.360
(<r²>)^1/2	6.030

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

using model chemistry: B1B95/6-31+G**

States and conformations

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