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	hartrees
Energy at 0K	-153.845580
Energy at 298.15K
HF Energy	-153.845580
Nuclear repulsion energy	75.218240

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	3091	2978	14.00	235.21	0.09	0.16
2	A₁	1542	1486	3.10	2.00	0.70	0.82
3	A₁	1296	1248	13.59	28.39	0.13	0.24
4	A₁	1146	1104	0.01	1.86	0.37	0.54
5	A₁	884	851	72.66	11.68	0.74	0.85
6	A₂	3165	3049	0.00	115.73	0.75	0.86
7	A₂	1178	1135	0.00	1.73	0.75	0.86
8	A₂	1041	1003	0.00	0.05	0.75	0.86
9	B₁	3180	3064	49.66	19.85	0.75	0.86
10	B₁	1168	1125	3.53	9.28	0.75	0.86
11	B₁	821	791	0.01	6.62	0.75	0.86
12	B₂	3085	2972	38.89	12.02	0.75	0.86
13	B₂	1510	1454	0.00	6.30	0.75	0.86
14	B₂	1147	1105	4.06	3.23	0.75	0.86
15	B₂	839	808	12.48	3.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.855
C2	0.000	0.733	-0.373
C3	0.000	-0.733	-0.373
H4	0.919	1.269	-0.593
H5	-0.919	1.269	-0.593
H6	-0.919	-1.269	-0.593
H7	0.919	-1.269	-0.593

	O1	C2	C3	H4	H5	H6	H7
O1		1.4303	1.4303	2.1333	2.1333	2.1333	2.1333
C2	1.4303		1.4654	1.0862	1.0862	2.2133	2.2133
C3	1.4303	1.4654		2.2133	2.2133	1.0862	1.0862
H4	2.1333	1.0862	2.2133		1.8374	3.1330	2.5377
H5	2.1333	1.0862	2.2133	1.8374		2.5377	3.1330
H6	2.1333	2.2133	1.0862	3.1330	2.5377		1.8374
H7	2.1333	2.2133	1.0862	2.5377	3.1330	1.8374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.183	O1	C2	H4	115.253
O1	C2	H5	115.253	O1	C3	C2	59.183
O1	C3	H6	115.253	O1	C3	H7	115.253
C2	O1	C3	61.635	C2	C3	H6	119.576
C2	C3	H7	119.576	C3	C2	H4	119.576
C3	C2	H5	119.576	H4	C2	H5	115.523
H6	C3	H7	115.523

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

using model chemistry: B3LYPultrafine/TZVP

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	-0.272
2	C	-0.112
3	C	-0.112
4	H	0.124
5	H	0.124
6	H	0.124
7	H	0.124

	x	y	z	Total
	0.000	0.000	-2.074	2.074
CHELPG
AIM
ESP

<r²>	36.654
(<r²>)^1/2	6.054

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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