%chk=000000228.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000228

0 1
 S    5.623500     -0.8934000      0.9754000    
 P    3.656200     -0.5723000     -0.9019000    
 O  -0.3246000      0.6223000      0.3134000    
 O   -2.045300       3.732200      0.7403000    
 O  -0.2143000       3.553400      -1.753300    
 O    2.097400     -0.1386000     -0.9025000    
 O    4.128900     -0.3342000      0.6293000    
 O    3.592000      -2.187900     -0.9938000    
 O    4.516400      6.8400003E-02  -1.952900    
 O    5.860600     -0.3545000       2.495800    
 O    6.585300     -0.2226000      0.1214000    
 O    5.569300      -2.342200       1.032200    
 N   -2.605700      0.5347000      0.9384000    
 N   -4.530500     -0.2981000       1.697400    
 N   -2.292600     -0.8642000      -1.022900    
 N   -4.119200      -2.463400      -1.273100    
 N   -5.950800      -2.572300      0.2634000    
 C   -1.595600       2.616400     -8.3999997E-03
 C  -0.1940000       2.822800     -0.5418000    
 C   -1.416600       1.381500      0.8675000    
 C   0.2668000       1.388900     -0.7498000    
 C    1.776000       1.229300     -0.7101000    
 C   -2.958200     -0.4591000      6.9200002E-02
 C   -3.581500      0.5921000       1.898900    
 C   -4.153700     -0.9620000      0.5570000    
 C   -4.737000      -2.002800     -0.1586000    
 C   -2.952600      -1.874100      -1.630700    
 H   -2.308000       2.451200     -0.8262000    
 H   0.4265000       3.363700      0.1818000    
 H   -1.152100       1.642900       1.899400    
 H  -0.1127000      0.9772000      -1.693600    
 H    2.170300       1.538900      0.2636000    
 H    2.251900       1.825100      -1.495500    
 H   -2.909100       3.499500       1.121100    
 H  -0.7568000       3.066600      -2.396600    
 H   -3.547800       1.300500       2.715400    
 H   -2.485800      -2.267600      -2.527400    
 H   -6.413600      -2.230800       1.094800    
 H   -6.354500      -3.327800     -0.2734000    
 H    3.419900      -2.606000      -1.864300    
 H    5.112300     -0.5081000       3.119100    


%chk=000000228-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000228

0 1
S 5.960023 -0.785965 1.951502
P 4.293664 0.370863 -0.558352
O -0.270970 0.098802 -0.064299
O -0.491384 3.304668 0.413770
O -1.629068 1.434856 -2.621035
O 2.608429 0.127417 -0.711730
O 4.432062 -0.005083 1.197144
O 4.874975 -1.034805 -1.309706
O 4.869070 1.783946 -0.974967
O 4.961638 -1.878836 2.993401
O 6.806051 0.170071 2.899348
O 6.691840 -1.608277 0.764864
N -2.445551 0.334090 0.889054
N -4.022564 -0.788516 2.132608
N -3.396072 -0.084435 -1.384279
N -5.450573 -1.409740 -1.311002
N -6.392690 -2.186204 0.709046
C -1.298106 2.295308 -0.290914
C -0.662685 1.884572 -1.660355
C -1.186987 1.032556 0.608732
C 0.347932 0.769600 -1.238778
C 1.729325 1.324914 -0.892015
C -3.369509 -0.185534 -0.023532
C -2.888040 -0.074348 2.165306
C -4.334960 -0.867482 0.761864
C -5.407534 -1.497923 0.064656
C -4.467594 -0.721904 -1.950499
H -2.340752 2.636026 -0.432685
H -0.144375 2.746374 -2.119665
H -0.766706 1.337019 1.584967
H 0.431321 0.003658 -2.026409
H 1.706766 1.917487 0.038380
H 2.127099 1.940635 -1.720629
H -0.541342 4.166627 -0.070717
H -2.314510 0.777613 -2.184902
H -2.337045 0.185778 3.066904
H -4.538896 -0.672763 -3.040250
H -6.376093 -2.268090 1.724019
H -7.132468 -2.621310 0.160624
H 5.686029 -1.437123 -0.870526
H 4.020952 -1.788941 2.649055


