%chk=000074113.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074113

0 1
 O   -1.042400     -0.6493000      -1.138300    
 O    1.445200       1.795600     -0.3345000    
 O    2.079500     -0.9463000      0.9516000    
 O   -3.688600      0.6987000     -0.5136000    
 O    1.201000      0.3576000      -2.117900    
 O   0.3847000      -2.512700      0.9988000    
 O   -2.955700       1.223100       1.610900    
 C  -0.4801000      0.4013000     -0.3512000    
 C  -0.1377000     -0.1522000       1.041300    
 C   -1.498300       1.549300     -0.2940000    
 C   0.8082000      0.8261000      -1.056300    
 C   0.7786000      -1.353600      0.9881000    
 C   -2.784500       1.153300      0.4006000    
 C    2.669100       2.280200     -0.8953000    
 C    3.243800       3.345800      2.5300000E-02
 C    3.052900      -1.994900      0.9238000    
 C   -4.944700      0.2707000      2.1500001E-02
 C    3.346700      -2.354700     -0.5245000    
 C   -4.857700      -1.210500      0.3558000    
 C    3.543800       2.795500       1.408000    
 C    4.364500      -3.475900     -0.6326000    
 C   -4.528200      -2.047100     -0.8674000    
 H   -1.039900     -0.5094000       1.552400    
 H   0.3046000      0.6087000       1.695400    
 H   -1.744600       1.899300      -1.304900    
 H   -1.092000       2.420400      0.2343000    
 H  -0.4030000      -1.379100      -1.192200    
 H    3.376600       1.450000      -1.005200    
 H    2.468800       2.716200      -1.880600    
 H    4.160400       3.753900     -0.4143000    
 H    2.527200       4.169000      0.1275000    
 H    3.956400      -1.608300       1.407500    
 H    2.725300      -2.864600       1.505500    
 H   -5.235200      0.8611000      0.8982000    
 H   -5.704600      0.4459000     -0.7477000    
 H    2.421800      -2.650300      -1.033600    
 H    3.710700      -1.467400      -1.056400    
 H   -4.083800      -1.381500       1.112800    
 H   -5.811800      -1.543700      0.7785000    
 H    2.634600       2.447200       1.908400    
 H    4.247300       1.958400       1.353600    
 H    3.991900       3.573500       2.034300    
 H    5.312800      -3.190700     -0.1660000    
 H    4.000000      -4.384900     -0.1436000    
 H    4.560200      -3.710700      -1.683500    
 H   -5.277400      -1.905800      -1.653100    
 H   -3.547300      -1.794800      -1.279600    
 H   -4.514100      -3.109500     -0.6031000    


%chk=000074113-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074113

0 1
O -1.229525 -0.758036 -1.092963
O 1.186252 1.977010 -0.650615
O 2.140333 -1.674638 1.461608
O -3.863568 1.006388 0.023418
O 1.043943 0.366211 -2.330600
O 0.833319 -2.415032 -0.314900
O -2.676274 0.174594 1.846876
C -0.475868 0.234705 -0.349591
C 0.190362 -0.379618 0.927847
C -1.494838 1.348633 0.016410
C 0.644873 0.836785 -1.246768
C 1.058634 -1.579507 0.604433
C -2.701933 0.772129 0.740754
C 2.311668 2.641431 -1.384120
C 2.852561 3.747878 -0.478017
C 3.062492 -2.841451 1.257049
C -5.124758 0.404503 0.565952
C 4.121932 -2.520710 0.194436
C -5.218877 -1.090990 0.228167
C 3.492377 3.215742 0.821826
C 5.117438 -3.692067 0.037156
C -5.092010 -1.392396 -1.280180
H -0.628704 -0.701731 1.601007
H 0.784550 0.376929 1.464769
H -1.836511 1.838906 -0.908436
H -0.999872 2.097872 0.656821
H -0.637158 -1.555031 -1.226736
H 3.074981 1.874822 -1.613682
H 1.910096 3.032689 -2.336508
H 3.602139 4.318024 -1.062557
H 2.033058 4.452076 -0.239329
H 3.510083 -2.994506 2.252630
H 2.459170 -3.720014 0.966061
H -5.150732 0.571240 1.657995
H -5.914239 0.989457 0.065826
H 3.619120 -2.321393 -0.769284
H 4.661719 -1.600111 0.486613
H -4.441152 -1.636781 0.792149
H -6.198917 -1.445629 0.608504
H 2.756866 2.646296 1.416540
H 4.344232 2.545267 0.601325
H 3.867945 4.046154 1.445959
H 5.642034 -3.908182 0.986793
H 4.601595 -4.615413 -0.285358
H 5.881949 -3.452928 -0.722769
H -5.866369 -0.859463 -1.864090
H -4.101841 -1.082541 -1.656871
H -5.207572 -2.474672 -1.470850


