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	hartrees
Energy at 0K	-153.855498
Energy at 298.15K
HF Energy	-153.855498
Nuclear repulsion energy	75.339174

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	3092	2977	14.66	239.04	0.08	0.15
2	A₁	1541	1483	2.74	1.89	0.64	0.78
3	A₁	1300	1252	14.31	28.46	0.13	0.23
4	A₁	1150	1107	0.03	1.90	0.27	0.43
5	A₁	890	857	68.51	10.01	0.73	0.84
6	A₂	3166	3048	0.00	114.99	0.75	0.86
7	A₂	1176	1132	0.00	1.41	0.75	0.86
8	A₂	1047	1008	0.00	0.05	0.75	0.86
9	B₁	3182	3063	46.14	19.16	0.75	0.86
10	B₁	1170	1127	3.49	7.38	0.75	0.86
11	B₁	819	789	0.03	5.06	0.75	0.86
12	B₂	3086	2970	40.42	11.02	0.75	0.86
13	B₂	1507	1451	0.00	5.08	0.75	0.86
14	B₂	1160	1117	1.38	1.60	0.75	0.86
15	B₂	845	813	12.07	3.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.854
C2	0.000	0.732	-0.372
C3	0.000	-0.732	-0.372
H4	0.918	1.267	-0.591
H5	-0.918	1.267	-0.591
H6	-0.918	-1.267	-0.591
H7	0.918	-1.267	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4277	1.4277	2.1296	2.1296	2.1296	2.1296
C2	1.4277		1.4631	1.0848	1.0848	2.2101	2.2101
C3	1.4277	1.4631		2.2101	2.2101	1.0848	1.0848
H4	2.1296	1.0848	2.2101		1.8355	3.1291	2.5342
H5	2.1296	1.0848	2.2101	1.8355		2.5342	3.1291
H6	2.1296	2.2101	1.0848	3.1291	2.5342		1.8355
H7	2.1296	2.2101	1.0848	2.5342	3.1291	1.8355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.177	O1	C2	H4	115.215
O1	C2	H5	115.215	O1	C3	C2	59.177
O1	C3	H6	115.215	O1	C3	H7	115.215
C2	O1	C3	61.646	C2	C3	H6	119.581
C2	C3	H7	119.581	C3	C2	H4	119.581
C3	C2	H5	119.581	H4	C2	H5	115.554
H6	C3	H7	115.554

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

using model chemistry: B3LYP/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	-0.353
2	C	-0.004
3	C	-0.004
4	H	0.090
5	H	0.090
6	H	0.090
7	H	0.090

	x	y	z	Total
	0.000	0.000	-1.918	1.918
CHELPG
AIM
ESP

<r²>	36.551
(<r²>)^1/2	6.046

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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