%chk=000056947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056947

0 1
 S    2.593300      0.6419000      -1.968000    
 O   -4.606800      -1.250200      4.3200001E-02
 O    2.942500      -2.111300     -0.5552000    
 N   -2.166900      0.1392000     -8.2699999E-02
 N  -0.6951000       1.742500      0.9187000    
 N    1.544800       2.017200      7.3299997E-02
 N    3.247900     -0.8278000       1.358300    
 N    2.757600      -1.808700       2.196200    
 C   -3.200200      0.5388000      0.8826000    
 C   -2.255300      -1.247200     -0.5541000    
 C   -4.575500      0.1418000      0.3584000    
 C   -3.681200      -1.549200      -1.001200    
 C  -0.9237000      0.7770000     -2.0700000E-02
 C   6.6299997E-02  0.4059000     -0.9326000    
 C    1.278300       1.059100     -0.8384000    
 C   0.5283000       2.305100      0.9085000    
 C    3.844900      9.8499998E-02 -0.7848000    
 C    3.300700      -1.072600     -1.6000000E-03
 H   -3.201000       1.621800       1.051600    
 H   -3.004200      3.8600001E-02   1.838900    
 H   -1.975700      -1.914100      0.2710000    
 H   -1.613600      -1.479700      -1.405500    
 H   -5.335700      0.3309000       1.123000    
 H   -4.847400      0.7228000     -0.5314000    
 H   -3.948300     -0.9794000      -1.899600    
 H   -3.779900      -2.612500      -1.241700    
 H  -7.8500003E-02 -0.3252000      -1.716100    
 H   0.7149000       3.070400       1.651700    
 H    4.736200     -0.2350000      -1.325000    
 H    4.139900      0.9287000     -0.1362000    
 H    3.547500      4.8599999E-02   1.773800    
 H    1.932700      -1.421700       2.652900    
 H    3.449900      -1.942400       2.932100    


%chk=000056947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056947

0 1
S 2.393201 -1.009944 -1.345967
O -5.408020 -0.160180 -0.782474
O 5.733809 -1.134674 0.286064
N -2.635240 -0.288437 -0.001956
N -0.960665 0.855938 1.191486
N 1.404835 0.604922 0.682869
N 4.037362 -0.133587 1.551280
N 4.512549 -0.606162 2.809097
C -3.655353 0.253480 0.930008
C -3.178088 -1.246222 -0.986307
C -4.832380 0.842546 0.134437
C -4.380098 -0.617463 -1.725831
C -1.290212 -0.030438 0.173785
C -0.256484 -0.607516 -0.630610
C 1.073616 -0.257233 -0.333098
C 0.347080 1.119040 1.381945
C 3.906016 0.041425 -0.873064
C 4.654386 -0.469592 0.363406
H -3.169930 1.012696 1.562261
H -4.023878 -0.568691 1.577510
H -3.511900 -2.164662 -0.460651
H -2.411316 -1.531016 -1.723182
H -5.655440 1.130452 0.808011
H -4.496835 1.729694 -0.444302
H -4.031103 0.234006 -2.349772
H -4.874961 -1.365656 -2.366378
H -0.461695 -1.295500 -1.452362
H 0.594130 1.813867 2.190934
H 4.569916 -0.034013 -1.746486
H 3.545917 1.074587 -0.743279
H 3.080938 0.275827 1.511321
H 4.814719 -1.588372 2.718769
H 5.301823 -0.027321 3.131936


