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	hartrees
Energy at 0K	-153.668281
Energy at 298.15K
HF Energy	-153.668281
Nuclear repulsion energy	75.757974

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	3108	3108	15.86	222.13	0.07	0.13
2	A₁	1543	1543	3.20	3.24	0.19	0.32
3	A₁	1329	1329	17.05	29.06	0.12	0.22
4	A₁	1161	1161	0.00	2.25	0.27	0.43
5	A₁	929	929	71.99	7.99	0.69	0.82
6	A₂	3185	3185	0.00	108.18	0.75	0.86
7	A₂	1173	1173	0.00	1.22	0.75	0.86
8	A₂	1056	1056	0.00	0.04	0.75	0.86
9	B₁	3200	3200	37.26	20.66	0.75	0.86
10	B₁	1182	1182	4.12	3.79	0.75	0.86
11	B₁	818	818	0.27	2.70	0.75	0.86
12	B₂	3100	3100	33.53	9.56	0.75	0.86
13	B₂	1499	1499	0.40	3.38	0.75	0.86
14	B₂	1167	1167	0.31	0.26	0.75	0.86
15	B₂	903	903	10.67	3.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.845
C2	0.000	0.729	-0.368
C3	0.000	-0.729	-0.368
H4	0.920	1.264	-0.586
H5	-0.920	1.264	-0.586
H6	-0.920	-1.264	-0.586
H7	0.920	-1.264	-0.586

	O1	C2	C3	H4	H5	H6	H7
O1		1.4144	1.4144	2.1190	2.1190	2.1190	2.1190
C2	1.4144		1.4579	1.0861	1.0861	2.2058	2.2058
C3	1.4144	1.4579		2.2058	2.2058	1.0861	1.0861
H4	2.1190	1.0861	2.2058		1.8391	3.1263	2.5282
H5	2.1190	1.0861	2.2058	1.8391		2.5282	3.1263
H6	2.1190	2.2058	1.0861	3.1263	2.5282		1.8391
H7	2.1190	2.2058	1.0861	2.5282	3.1263	1.8391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.978	O1	C2	H4	115.237
O1	C2	H5	115.237	O1	C3	C2	58.978
O1	C3	H6	115.237	O1	C3	H7	115.237
C2	O1	C3	62.045	C2	C3	H6	119.518
C2	C3	H7	119.518	C3	C2	H4	119.518
C3	C2	H5	119.518	H4	C2	H5	115.691
H6	C3	H7	115.691

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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	-0.555
2	C	0.055
3	C	0.055
4	H	0.111
5	H	0.111
6	H	0.111
7	H	0.111

	x	y	z	Total
	0.000	0.000	-1.853	1.853
CHELPG
AIM
ESP

<r²>	36.235
(<r²>)^1/2	6.020

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

States and conformations

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