%chk=000052999.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052999

0 1
 S    2.389800      6.9999998E-04   1.815500    
 O    2.184400      -1.037000       2.815100    
 O    3.375000       1.045500       2.050100    
 O    1.972800       2.007100      -1.108700    
 O    4.185800       2.108600     -0.4832000    
 O  -0.3240000      -1.187600      0.9470000    
 O   -4.534000      -2.225000     -0.4893000    
 N   0.8827000      0.7322000       1.456400    
 N   -1.330000      0.9103000      0.7485000    
 N   -3.453900       1.640500      0.1000000    
 N   -2.912300     -0.6969000      0.1338000    
 N   -5.102100      1.7500000E-02 -0.5383000    
 C    2.784600     -0.7585000      0.2880000    
 C    3.130700     -1.1000000E-03 -0.8309000    
 C    2.747900      -2.150400      0.2038000    
 C    3.440000     -0.6355000      -2.034000    
 C    3.057300      -2.784900     -0.9993000    
 C    3.403400      -2.027400      -2.118200    
 C    3.179800       1.454300     -0.7817000    
 C  -0.2964000      3.4200002E-02   1.031400    
 C   -2.636200      0.6012000      0.3034000    
 C   -4.674300       1.271700     -0.3216000    
 C   -4.167600     -0.9143000     -0.2901000    
 C    1.894300       3.436500      -1.097400    
 C   -5.654300       2.366500     -0.5744000    
 C   -3.543400      -3.208200     -0.2259000    
 H    2.479800      -2.768400       1.055500    
 H   0.8619000       1.759600       1.433000    
 H    3.711000     -5.6499999E-02  -2.913300    
 H    3.028000      -3.868600      -1.065400    
 H    3.644000      -2.521400      -3.055000    
 H   -1.147500       1.902900      0.8683000    
 H   -6.617900       2.127400     -0.1141000    
 H   -5.799700       2.492500      -1.651400    
 H   -5.304100       3.316100     -0.1578000    
 H    2.586100       3.857700      -1.832600    
 H    2.114000       3.817800     -9.5799997E-02
 H   0.8743000       3.723000      -1.367100    
 H   -3.980800      -4.190300     -0.4291000    
 H   -2.678200      -3.082800     -0.8858000    
 H   -3.237400      -3.187600      0.8255000    


%chk=000052999-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052999

0 1
S 2.293382 0.546126 1.656982
O 2.137357 -0.350782 2.988923
O 3.208403 1.881732 1.689084
O 2.434423 2.028373 -1.034439
O 4.461847 1.645968 -2.126888
O -0.370875 -0.953660 1.096577
O -4.500146 -2.070880 -1.215361
N 0.616744 1.175544 1.205068
N -1.678858 1.039091 0.965216
N -3.941031 1.490452 0.705611
N -3.016051 -0.583491 -0.167567
N -5.391482 -0.098227 -0.416496
C 2.790546 -0.639091 0.231699
C 3.349782 -0.189871 -0.985632
C 2.654026 -1.993159 0.569337
C 3.822339 -1.188021 -1.879805
C 3.103786 -2.963388 -0.354126
C 3.696030 -2.557862 -1.571613
C 3.510269 1.233856 -1.427609
C -0.473222 0.294008 1.074993
C -2.914168 0.604334 0.482435
C -5.162506 1.089265 0.226661
C -4.284582 -0.881500 -0.577300
C 2.592255 3.491947 -1.242801
C -6.338483 2.003749 0.426386
C -3.322859 -2.959629 -1.393775
H 2.216175 -2.270073 1.532733
H 0.661032 2.088548 0.740292
H 4.288077 -0.858252 -2.813857
H 2.999485 -4.025780 -0.113218
H 4.061831 -3.307910 -2.280099
H -1.712935 1.974564 1.381198
H -7.090797 1.513742 1.070269
H -6.830926 2.204792 -0.540838
H -6.017703 2.947489 0.890569
H 3.216790 3.684787 -2.129059
H 3.065848 3.908323 -0.338312
H 1.574917 3.886649 -1.380906
H -3.746668 -3.874865 -1.829901
H -2.593108 -2.491032 -2.074504
H -2.835449 -3.154465 -0.425031


