Geometric Data calculated at CCSD=FULL/daug-cc-pVTZ
Point Group is D∞h
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
C1 |
0.000 |
0.000 |
0.000 |
C2 |
0.000 |
0.000 |
1.270 |
C3 |
0.000 |
0.000 |
-1.270 |
O4 |
0.000 |
0.000 |
2.421 |
O5 |
0.000 |
0.000 |
-2.421 |
Atom - Atom Distances (Å)
|
C1 |
C2 |
C3 |
O4 |
O5 |
C1 | | 1.2700 | 1.2700 | 2.4213 | 2.4213 |
C2 | 1.2700 | | 2.5401 | 1.1513 | 3.6914 | C3 | 1.2700 | 2.5401 | | 3.6914 | 1.1513 | O4 | 2.4213 | 1.1513 | 3.6914 | | 4.8427 | O5 | 2.4213 | 3.6914 | 1.1513 | 4.8427 | |
More geometry information
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