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	hartrees
Energy at 0K	-153.760751
Energy at 298.15K
HF Energy	-153.760751
Nuclear repulsion energy	75.450381

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	3137	2985	13.98	215.04	0.09	0.17
2	A₁	1558	1483	4.79	2.94	0.40	0.57
3	A₁	1330	1265	15.39	30.95	0.14	0.25
4	A₁	1168	1111	0.00	1.25	0.20	0.34
5	A₁	924	880	79.17	11.33	0.73	0.84
6	A₂	3218	3063	0.00	114.84	0.75	0.86
7	A₂	1181	1124	0.00	2.57	0.75	0.86
8	A₂	1052	1001	0.00	0.24	0.75	0.86
9	B₁	3231	3076	42.48	23.08	0.75	0.86
10	B₁	1180	1123	3.73	6.36	0.75	0.86
11	B₁	824	784	0.21	4.61	0.75	0.86
12	B₂	3129	2978	34.62	11.06	0.75	0.86
13	B₂	1514	1441	0.00	6.50	0.75	0.86
14	B₂	1163	1107	1.42	1.49	0.75	0.86
15	B₂	895	852	11.34	5.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.849
C2	0.000	0.732	-0.370
C3	0.000	-0.732	-0.370
H4	0.921	1.269	-0.587
H5	-0.921	1.269	-0.587
H6	-0.921	-1.269	-0.587
H7	0.921	-1.269	-0.587

	O1	C2	C3	H4	H5	H6	H7
O1		1.4220	1.4220	2.1258	2.1258	2.1258	2.1258
C2	1.4220		1.4639	1.0877	1.0877	2.2131	2.2131
C3	1.4220	1.4639		2.2131	2.2131	1.0877	1.0877
H4	2.1258	1.0877	2.2131		1.8416	3.1354	2.5375
H5	2.1258	1.0877	2.2131	1.8416		2.5375	3.1354
H6	2.1258	2.2131	1.0877	3.1354	2.5375		1.8416
H7	2.1258	2.2131	1.0877	2.5375	3.1354	1.8416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.020	O1	C2	H4	115.143
O1	C2	H5	115.143	O1	C3	C2	59.020
O1	C3	H6	115.143	O1	C3	H7	115.143
C2	O1	C3	61.961	C2	C3	H6	119.575
C2	C3	H7	119.575	C3	C2	H4	119.575
C3	C2	H5	119.575	H4	C2	H5	115.684
H6	C3	H7	115.684

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.316
2	C	-0.165
3	C	-0.165
4	H	0.161
5	H	0.161
6	H	0.161
7	H	0.161

	x	y	z	Total
	0.000	0.000	-2.106	2.106
CHELPG
AIM
ESP

<r²>	36.439
(<r²>)^1/2	6.036

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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