%chk=000103027.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103027

0 1
 S   -1.617800      0.5761000      -1.210600    
 S    1.617200     -0.5610000      -1.204000    
 S   -4.859200      0.2754000      -2.494300    
 S    4.881300     -0.2685000      -2.483700    
 P   -3.647200      7.4999998E-03 -0.9748000    
 P    3.657800     -4.9000001E-03 -0.9726000    
 O   -1.357800      0.3627000       1.434000    
 O    1.340400     -0.3653000       1.440500    
 O   -4.200500      0.7270000      0.3853000    
 O   -3.661400      -1.536300     -0.4354000    
 O    3.670900       1.536400     -0.4261000    
 O    4.198800     -0.7316000      0.3886000    
 C  -0.7600000     -0.1520000      0.2339000    
 C   0.7503000      0.1574000      0.2399000    
 C  -0.7484000     -0.1855000       2.601100    
 C   0.7230000      0.1742000       2.607400    
 C   -4.374600       2.133600      0.4325000    
 C   -3.248200      -2.595500      -1.282600    
 C    3.266700       2.600300      -1.271900    
 C    4.369700      -2.138800      0.4308000    
 C   -4.893500       2.520700       1.800900    
 C   -3.363300      -3.903400     -0.5290000    
 C    3.378500       3.904600     -0.5115000    
 C    4.877000      -2.533000       1.801600    
 H  -0.9273000      -1.235500      0.2207000    
 H   0.9186000       1.240800      0.2346000    
 H   -1.251200      0.2333000       3.477600    
 H  -0.8966000      -1.271400       2.602700    
 H    1.220000     -0.2509000       3.484300    
 H   0.8712000       1.260100       2.617900    
 H   -3.417400       2.627600      0.2425000    
 H   -5.090900       2.446300     -0.3322000    
 H   -3.884600      -2.629600      -2.171200    
 H   -2.213600      -2.434700      -1.598400    
 H    3.910100       2.636900      -2.155400    
 H    2.234200       2.442900      -1.596200    
 H    3.413100      -2.629900      0.2309000    
 H    5.091500      -2.449600     -0.3295000    
 H   -5.846000       2.021600       2.007600    
 H   -4.193000       2.205300       2.581400    
 H   -5.038500       3.602200       1.872700    
 H   -2.740200      -3.884500      0.3713000    
 H   -4.394300      -4.069300     -0.1992000    
 H   -3.053100      -4.744300      -1.155400    
 H    3.074700       4.748900      -1.136500    
 H    4.407200       4.067000     -0.1731000    
 H    2.748400       3.882900      0.3838000    
 H    5.019000      -3.615100       1.869800    
 H    4.171100      -2.219400       2.577900    
 H    5.828900      -2.036900       2.017900    


%chk=000103027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103027

0 1
S -1.026725 1.434881 -0.505719
S 1.025573 -1.432379 -0.510344
S -4.075527 1.814384 -2.478502
S 4.078607 -1.804565 -2.477965
P -3.187392 0.728018 -0.971085
P 3.187532 -0.724332 -0.967868
O -0.957218 1.060885 2.164996
O 0.949331 -1.071809 2.161975
O -3.933965 0.611111 0.582430
O -3.016391 -0.986766 -1.131128
O 3.018223 0.991272 -1.121036
O 3.931011 -0.614467 0.587655
C -0.726799 0.265412 0.942921
C 0.722232 -0.270034 0.943390
C -0.728973 0.240597 3.380259
C 0.717653 -0.258030 3.380948
C -4.213555 1.886488 1.315339
C -2.486997 -1.509412 -2.430033
C 2.492489 1.520255 -2.418850
C 4.209006 -1.893224 1.315314
C -4.978250 1.479347 2.570012
C -2.482415 -3.027874 -2.293508
C 2.491413 3.038186 -2.276278
C 4.971476 -1.492047 2.573257
H -1.453247 -0.569918 0.880641
H 1.448866 0.565552 0.887150
H -0.937977 0.915701 4.226588
H -1.434487 -0.615486 3.392985
H 0.924253 -0.937682 4.224226
H 1.423144 0.597948 3.400265
H -3.246013 2.363021 1.558586
H -4.811139 2.550686 0.662034
H -3.148524 -1.163117 -3.246261
H -1.465536 -1.109895 -2.582550
H 3.154703 1.175532 -3.235194
H 1.470327 1.123933 -2.574880
H 3.241016 -2.370780 1.554710
H 4.807708 -2.554523 0.660082
H -5.917147 0.963036 2.308768
H -4.367421 0.806007 3.195180
H -5.224479 2.379851 3.162542
H -1.822475 -3.344265 -1.468319
H -3.500091 -3.407062 -2.101258
H -2.108869 -3.481306 -3.230192
H 2.120519 3.496309 -3.211727
H 3.509672 3.414128 -2.080780
H 1.830862 3.352864 -1.450916
H 5.216600 -2.395398 3.161898
H 4.359539 -0.821703 3.200557
H 5.910857 -0.974531 2.316181


