%chk=000080108.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080108

0 1
 O   -1.155400     -0.6378000       1.794100    
 C    2.838900     -0.9868000     -9.8300003E-02
 C    1.343500     -0.7313000     -0.3028000    
 C    3.649800      0.2974000     -0.2831000    
 C   0.5275000      -2.009700     -8.6000003E-02
 C    5.152900      0.1069000     -5.8100000E-02
 C  -0.9699000      -1.792600     -0.3168000    
 C    6.012400       1.364400     -0.2085000    
 C   -1.593400     -0.8040000      0.6582000    
 C    7.501400       1.107600     -3.7799999E-02
 C   -2.789500     -2.8500000E-02  0.2222000    
 C   -3.649800     -0.5980000     -0.6899000    
 C   -2.990200       1.228300      0.7478000    
 C   -4.769200      0.1274000      -1.097800    
 C   -4.109700       1.953600      0.3398000    
 C   -4.999200       1.403000     -0.5830000    
 H    3.186000      -1.745900     -0.8094000    
 H    3.009700      -1.384100      0.9095000    
 H    1.172000     -0.3552000      -1.318800    
 H    1.015400      5.1899999E-02  0.3897000    
 H    3.487100      0.6877000      -1.295300    
 H    3.282900       1.061600      0.4132000    
 H   0.6949000      -2.382400      0.9319000    
 H   0.8793000      -2.788100     -0.7737000    
 H    5.309600     -0.3050000      0.9469000    
 H    5.515900     -0.6526000     -0.7624000    
 H   -1.113000      -1.438900      -1.344100    
 H   -1.493800      -2.748300     -0.2033000    
 H    5.691600       2.110900      0.5275000    
 H    5.841100       1.801500      -1.199300    
 H    8.064000       2.039100     -0.1542000    
 H    7.715600      0.7012000      0.9556000    
 H    7.863000      0.3949000     -0.7858000    
 H   -3.503000      -1.594800      -1.092500    
 H   -2.303100       1.670900       1.462500    
 H   -5.464200     -0.3025000      -1.813300    
 H   -4.288400       2.947400      0.7397000    
 H   -5.871100       1.967500     -0.9000000    


%chk=000080108-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080108

0 1
O -1.048436 0.077404 1.556181
C 2.969720 -0.850436 -0.008520
C 1.499652 -0.537681 -0.365515
C 3.940762 0.296666 -0.368300
C 0.535292 -1.689219 0.000079
C 5.413904 -0.012618 -0.018413
C -0.931714 -1.405325 -0.381338
C 6.382302 1.138511 -0.374549
C -1.621723 -0.373093 0.520556
C 7.853319 0.819455 -0.029908
C -3.013328 0.083066 0.165516
C -3.721395 -0.421177 -0.959128
C -3.638879 1.051839 0.997301
C -5.026377 0.034721 -1.244515
C -4.940188 1.508508 0.711250
C -5.638212 1.000571 -0.411685
H 3.288267 -1.777478 -0.531007
H 3.042507 -1.063963 1.078264
H 1.425870 -0.326337 -1.453870
H 1.181711 0.380675 0.163920
H 3.861504 0.517445 -1.453818
H 3.624607 1.220240 0.160056
H 0.594579 -1.875248 1.089529
H 0.863952 -2.616813 -0.510585
H 5.494922 -0.235491 1.066265
H 5.732382 -0.934634 -0.549046
H -0.993090 -1.063539 -1.434925
H -1.531712 -2.338872 -0.333224
H 6.066652 2.057315 0.160724
H 6.295503 1.364952 -1.457177
H 8.523722 1.658641 -0.292614
H 7.971736 0.618009 1.051669
H 8.202809 -0.076715 -0.576983
H -3.261030 -1.170010 -1.611600
H -3.078227 1.425970 1.860529
H -5.565937 -0.359789 -2.112511
H -5.412975 2.256434 1.357160
H -6.650849 1.354716 -0.635368


