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	hartrees
Energy at 0K	-151.560607
Energy at 298.15K
HF Energy	-151.505737
Nuclear repulsion energy	73.265107

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	3375	3375	0.07	70.76	0.10	0.18
2	A₁	1680	1680	0.14	13.52	0.71	0.83
3	A₁	1381	1381	1.14	15.70	0.29	0.44
4	A₁	1258	1258	3.92	2.58	0.26	0.41
5	A₁	983	983	6.14	7.35	0.74	0.85
6	A₂	3513	3513	0.00	51.72	0.75	0.86
7	A₂	1238	1238	0.00	6.45	0.75	0.86
8	A₂	1074	1074	0.00	0.07	0.75	0.86
9	B₁	3522	3522	4.22	8.19	0.75	0.86
10	B₁	1187	1187	6.45	11.33	0.75	0.86
11	B₁	875	875	0.04	3.86	0.75	0.86
12	B₂	3364	3364	1.80	4.89	0.75	0.86
13	B₂	1639	1639	0.56	5.46	0.75	0.86
14	B₂	1212	1212	0.89	0.49	0.75	0.86
15	B₂	1056	1056	0.00	6.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.887
C2	0.000	0.752	-0.380
C3	0.000	-0.752	-0.380
H4	0.928	1.293	-0.633
H5	-0.928	1.293	-0.633
H6	-0.928	-1.293	-0.633
H7	0.928	-1.293	-0.633

	O1	C2	C3	H4	H5	H6	H7
O1		1.4739	1.4739	2.2006	2.2006	2.2006	2.2006
C2	1.4739		1.5048	1.1032	1.1032	2.2605	2.2605
C3	1.4739	1.5048		2.2605	2.2605	1.1032	1.1032
H4	2.2006	1.1032	2.2605		1.8556	3.1835	2.5868
H5	2.2006	1.1032	2.2605	1.8556		2.5868	3.1835
H6	2.2006	2.2605	1.1032	3.1835	2.5868		1.8556
H7	2.2006	2.2605	1.1032	2.5868	3.1835	1.8556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.302	O1	C2	H4	116.545
O1	C2	H5	116.545	O1	C3	C2	59.302
O1	C3	H6	116.545	O1	C3	H7	116.545
C2	O1	C3	61.396	C2	C3	H6	119.365
C2	C3	H7	119.365	C3	C2	H4	119.365
C3	C2	H5	119.365	H4	C2	H5	114.492
H6	C3	H7	114.492

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

States and conformations

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