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	hartrees
Energy at 0K	-153.772259
Energy at 298.15K
HF Energy	-153.772259
Nuclear repulsion energy	75.289371

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	3124	3124	17.13	248.04	0.06	0.12
2	A₁	1536	1536	3.21	3.01	0.16	0.27
3	A₁	1322	1322	14.98	31.12	0.11	0.21
4	A₁	1145	1145	0.00	2.53	0.21	0.35
5	A₁	916	916	73.20	7.83	0.71	0.83
6	A₂	3212	3212	0.00	110.11	0.75	0.86
7	A₂	1163	1163	0.00	0.79	0.75	0.86
8	A₂	1044	1044	0.00	0.03	0.75	0.86
9	B₁	3227	3227	39.83	21.44	0.75	0.86
10	B₁	1165	1165	3.95	3.35	0.75	0.86
11	B₁	812	812	0.24	2.84	0.75	0.86
12	B₂	3117	3117	36.86	9.96	0.75	0.86
13	B₂	1489	1489	0.27	3.22	0.75	0.86
14	B₂	1149	1149	0.23	0.32	0.75	0.86
15	B₂	879	879	11.24	3.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.852
C2	0.000	0.732	-0.372
C3	0.000	-0.732	-0.372
H4	0.925	1.269	-0.588
H5	-0.925	1.269	-0.588
H6	-0.925	-1.269	-0.588
H7	0.925	-1.269	-0.588

	O1	C2	C3	H4	H5	H6	H7
O1		1.4256	1.4256	2.1307	2.1307	2.1307	2.1307
C2	1.4256		1.4646	1.0910	1.0910	2.2156	2.2156
C3	1.4256	1.4646		2.2156	2.2156	1.0910	1.0910
H4	2.1307	1.0910	2.2156		1.8491	3.1409	2.5388
H5	2.1307	1.0910	2.2156	1.8491		2.5388	3.1409
H6	2.1307	2.2156	1.0910	3.1409	2.5388		1.8491
H7	2.1307	2.2156	1.0910	2.5388	3.1409	1.8491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.090	O1	C2	H4	115.054
O1	C2	H5	115.054	O1	C3	C2	59.090
O1	C3	H6	115.054	O1	C3	H7	115.054
C2	O1	C3	61.820	C2	C3	H6	119.492
C2	C3	H7	119.492	C3	C2	H4	119.492
C3	C2	H5	119.492	H4	C2	H5	115.863
H6	C3	H7	115.863

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

using model chemistry: mPW1PW91/daug-cc-pVDZ

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	-0.611
2	C	1.495
3	C	1.495
4	H	-0.595
5	H	-0.595
6	H	-0.595
7	H	-0.595

	x	y	z	Total
	0.000	0.000	-1.879	1.879
CHELPG
AIM
ESP

<r²>	36.543
(<r²>)^1/2	6.045

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

using model chemistry: mPW1PW91/daug-cc-pVDZ

States and conformations

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