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	hartrees
Energy at 0K	-153.771631
Energy at 298.15K
HF Energy	-153.771631
Nuclear repulsion energy	75.276961

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	3127	2997	16.92	243.96	0.06	0.12
2	A₁	1538	1473	2.82	3.21	0.17	0.29
3	A₁	1323	1268	15.56	30.37	0.12	0.21
4	A₁	1152	1104	0.00	2.62	0.24	0.39
5	A₁	917	879	73.01	8.23	0.72	0.84
6	A₂	3213	3079	0.00	110.53	0.75	0.86
7	A₂	1164	1115	0.00	0.76	0.75	0.86
8	A₂	1043	999	0.00	0.04	0.75	0.86
9	B₁	3227	3093	39.20	21.80	0.75	0.86
10	B₁	1165	1116	3.75	3.40	0.75	0.86
11	B₁	814	780	0.22	2.93	0.75	0.86
12	B₂	3119	2989	35.63	10.00	0.75	0.86
13	B₂	1491	1428	0.37	3.20	0.75	0.86
14	B₂	1153	1105	0.18	0.30	0.75	0.86
15	B₂	879	842	10.65	3.60	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	1.270	-0.588
H5	-0.925	1.270	-0.588
H6	-0.925	-1.270	-0.588
H7	0.925	-1.270	-0.588

	O1	C2	C3	H4	H5	H6	H7
O1		1.4258	1.4258	2.1311	2.1311	2.1311	2.1311
C2	1.4258		1.4643	1.0916	1.0916	2.2161	2.2161
C3	1.4258	1.4643		2.2161	2.2161	1.0916	1.0916
H4	2.1311	1.0916	2.2161		1.8498	3.1422	2.5400
H5	2.1311	1.0916	2.2161	1.8498		2.5400	3.1422
H6	2.1311	2.2161	1.0916	3.1422	2.5400		1.8498
H7	2.1311	2.2161	1.0916	2.5400	3.1422	1.8498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.101	O1	C2	H4	115.030
O1	C2	H5	115.030	O1	C3	C2	59.101
O1	C3	H6	115.030	O1	C3	H7	115.030
C2	O1	C3	61.797	C2	C3	H6	119.519
C2	C3	H7	119.519	C3	C2	H4	119.519
C3	C2	H5	119.519	H4	C2	H5	115.842
H6	C3	H7	115.842

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

using model chemistry: mPW1PW91/aug-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	-0.587
2	C	0.972
3	C	0.972
4	H	-0.339
5	H	-0.339
6	H	-0.339
7	H	-0.339

	x	y	z	Total
	0.000	0.000	-1.881	1.881
CHELPG
AIM
ESP

<r²>	36.556
(<r²>)^1/2	6.046

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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