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	hartrees
Energy at 0K	-153.852760
Energy at 298.15K
HF Energy	-153.852760
Nuclear repulsion energy	75.298445

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	3091	16.80	249.95	0.06	0.12
2	A₁	1538	1538	2.53	2.25	0.42	0.59
3	A₁	1299	1299	15.76	30.26	0.11	0.20
4	A₁	1149	1149	0.00	3.91	0.15	0.27
5	A₁	887	887	71.66	8.14	0.73	0.84
6	A₂	3164	3164	0.00	113.18	0.75	0.86
7	A₂	1177	1177	0.00	0.79	0.75	0.86
8	A₂	1048	1048	0.00	0.03	0.75	0.86
9	B₁	3179	3179	40.73	22.89	0.75	0.86
10	B₁	1169	1169	4.05	3.35	0.75	0.86
11	B₁	819	819	0.21	2.89	0.75	0.86
12	B₂	3085	3085	36.85	10.51	0.75	0.86
13	B₂	1506	1506	0.10	3.51	0.75	0.86
14	B₂	1167	1167	0.25	0.24	0.75	0.86
15	B₂	843	843	10.74	3.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.855
C2	0.000	0.732	-0.373
C3	0.000	-0.732	-0.373
H4	0.918	1.267	-0.590
H5	-0.918	1.267	-0.590
H6	-0.918	-1.267	-0.590
H7	0.918	-1.267	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4296	1.4296	2.1295	2.1295	2.1295	2.1295
C2	1.4296		1.4633	1.0844	1.0844	2.2099	2.2099
C3	1.4296	1.4633		2.2099	2.2099	1.0844	1.0844
H4	2.1295	1.0844	2.2099		1.8358	3.1291	2.5340
H5	2.1295	1.0844	2.2099	1.8358		2.5340	3.1291
H6	2.1295	2.2099	1.0844	3.1291	2.5340		1.8358
H7	2.1295	2.2099	1.0844	2.5340	3.1291	1.8358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.217	O1	C2	H4	115.095
O1	C2	H5	115.095	O1	C3	C2	59.217
O1	C3	H6	115.095	O1	C3	H7	115.095
C2	O1	C3	61.566	C2	C3	H6	119.583
C2	C3	H7	119.583	C3	C2	H4	119.583
C3	C2	H5	119.583	H4	C2	H5	115.651
H6	C3	H7	115.651

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

using model chemistry: B3LYP/daug-cc-pVTZ

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	-0.840
2	C	-0.587
3	C	-0.587
4	H	0.504
5	H	0.504
6	H	0.504
7	H	0.504

	x	y	z	Total
	0.000	0.000	-1.917	1.917
CHELPG
AIM
ESP

<r²>	36.627
(<r²>)^1/2	6.052

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

using model chemistry: B3LYP/daug-cc-pVTZ

States and conformations

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