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	hartrees
Energy at 0K	-153.823813
Energy at 298.15K
HF Energy	-153.823813
Nuclear repulsion energy	75.222439

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	3087	2983	14.50	215.27	0.10	0.18
2	A₁	1553	1501	2.94	2.09	0.74	0.85
3	A₁	1304	1260	14.50	24.82	0.16	0.27
4	A₁	1148	1110	0.01	1.38	0.55	0.71
5	A₁	892	862	69.54	11.18	0.74	0.85
6	A₂	3160	3054	0.00	122.31	0.75	0.86
7	A₂	1185	1145	0.00	3.18	0.75	0.86
8	A₂	1047	1012	0.00	0.11	0.75	0.86
9	B₁	3176	3069	74.00	17.94	0.75	0.86
10	B₁	1177	1137	3.94	12.03	0.75	0.86
11	B₁	823	795	0.00	7.12	0.75	0.86
12	B₂	3079	2976	51.98	10.89	0.75	0.86
13	B₂	1516	1465	0.10	6.38	0.75	0.86
14	B₂	1138	1100	2.94	2.50	0.75	0.86
15	B₂	844	816	12.26	3.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.854
C2	0.000	0.733	-0.372
C3	0.000	-0.733	-0.372
H4	0.920	1.272	-0.590
H5	-0.920	1.272	-0.590
H6	-0.920	-1.272	-0.590
H7	0.920	-1.272	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4285	1.4285	2.1326	2.1326	2.1326	2.1326
C2	1.4285		1.4668	1.0879	1.0879	2.2169	2.2169
C3	1.4285	1.4668		2.2169	2.2169	1.0879	1.0879
H4	2.1326	1.0879	2.2169		1.8396	3.1393	2.5439
H5	2.1326	1.0879	2.2169	1.8396		2.5439	3.1393
H6	2.1326	2.2169	1.0879	3.1393	2.5439		1.8396
H7	2.1326	2.2169	1.0879	2.5439	3.1393	1.8396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.111	O1	C2	H4	115.206
O1	C2	H5	115.206	O1	C3	C2	59.111
O1	C3	H6	115.206	O1	C3	H7	115.206
C2	O1	C3	61.778	C2	C3	H6	119.674
C2	C3	H7	119.674	C3	C2	H4	119.674
C3	C2	H5	119.674	H4	C2	H5	115.452
H6	C3	H7	115.452

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

using model chemistry: B3LYPultrafine/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	-0.292
2	C	-0.271
3	C	-0.271
4	H	0.209
5	H	0.209
6	H	0.209
7	H	0.209

	x	y	z	Total
	0.000	0.000	-1.976	1.976
CHELPG
AIM
ESP

<r²>	36.553
(<r²>)^1/2	6.046

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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