#P Becke3LYP/6-31G(d) scf=(tight) opt=tight

Becke3LYP/6-31G(d) opt ethanol C1

0 1
C,0,0.4539287439,-0.0604227557,0.3297061755
H,0,0.4639168368,-0.0975677855,1.4239865028
H,0,1.5050496976,-0.0571646377,-0.0031825526
C,0,-0.2534376694,1.204505123,-0.1492141117
H,0,0.2513719885,2.1032243544,0.2252507927
H,0,-0.2606545921,1.260933358,-1.2458372785
H,0,-1.2917823855,1.2171544978,0.1982863245
O,0,-0.2082889593,-1.2528302722,-0.0790748341
H,0,-0.2045363177,-1.268431813,-1.0488574989