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	hartrees
Energy at 0K	-153.728216
Energy at 298.15K
HF Energy	-153.540889
Nuclear repulsion energy	75.323508

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	3128	3128	13.73	232.55	0.08	0.14
2	A₁	1552	1552	2.27	1.91	0.60	0.75
3	A₁	1305	1305	12.21	28.70	0.12	0.22
4	A₁	1156	1156	0.00	2.53	0.22	0.36
5	A₁	893	893	67.50	9.65	0.75	0.85
6	A₂	3207	3207	0.00	108.57	0.75	0.86
7	A₂	1185	1185	0.00	1.41	0.75	0.86
8	A₂	1055	1055	0.00	0.03	0.75	0.86
9	B₁	3222	3222	39.88	18.13	0.75	0.86
10	B₁	1176	1176	3.44	7.02	0.75	0.86
11	B₁	824	824	0.04	4.68	0.75	0.86
12	B₂	3120	3120	35.91	10.49	0.75	0.86
13	B₂	1519	1519	0.00	4.80	0.75	0.86
14	B₂	1167	1167	1.48	1.51	0.75	0.86
15	B₂	842	842	10.83	3.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.856
C2	0.000	0.731	-0.374
C3	0.000	-0.731	-0.374
H4	0.917	1.263	-0.590
H5	-0.917	1.263	-0.590
H6	-0.917	-1.263	-0.590
H7	0.917	-1.263	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4306	1.4306	2.1279	2.1279	2.1279	2.1279
C2	1.4306		1.4620	1.0824	1.0824	2.2058	2.2058
C3	1.4306	1.4620		2.2058	2.2058	1.0824	1.0824
H4	2.1279	1.0824	2.2058		1.8346	3.1225	2.5267
H5	2.1279	1.0824	2.2058	1.8346		2.5267	3.1225
H6	2.1279	2.2058	1.0824	3.1225	2.5267		1.8346
H7	2.1279	2.2058	1.0824	2.5267	3.1225	1.8346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.272	O1	C2	H4	115.019
O1	C2	H5	115.019	O1	C3	C2	59.272
O1	C3	H6	115.019	O1	C3	H7	115.019
C2	O1	C3	61.456	C2	C3	H6	119.463
C2	C3	H7	119.463	C3	C2	H4	119.463
C3	C2	H5	119.463	H4	C2	H5	115.878
H6	C3	H7	115.878

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

using model chemistry: B2PLYP/Def2TZVPP

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	-0.350
2	C	0.001
3	C	0.001
4	H	0.087
5	H	0.087
6	H	0.087
7	H	0.087

	x	y	z	Total
	0.000	0.000	-1.940	1.940
CHELPG
AIM
ESP

<r²>	36.546
(<r²>)^1/2	6.045

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

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

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