%chk=000048682.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048682

1 1
 S   -6.358400     -0.6007000     -0.2025000    
 O    1.613300       1.474100     -0.8158000    
 O    1.368100       1.817500       1.459200    
 O   -6.968700     -0.3308000       1.290100    
 O   -6.699700      0.5572000      -1.016200    
 O   -6.751700      -1.939100     -0.6156000    
 N    5.686600     -0.9785000      8.7899998E-02
 N   9.3199998E-02 -0.8720000     -0.5936000    
 N   0.5692000       3.428300     -1.6100001E-02
 N  -0.4675000     -0.6691000      0.5084000    
 C    4.167500     -0.9454000     -9.7099997E-02
 C    6.288200      -1.911100     -0.9595000    
 C    5.998800      -1.472100       1.497900    
 C    6.319300      0.4008000     -8.3499998E-02
 C    3.609300      0.2583000     -0.3701000    
 C    3.509200      -2.122900      2.6799999E-02
 C    2.225000      0.2882000     -0.5395000    
 C    2.125100      -2.093100     -0.1426000    
 C    1.483000     -0.8876000     -0.4259000    
 C    1.192000       2.218300      0.3092000    
 C   -1.862700     -0.6530000      0.3405000    
 C   -4.625400     -0.6211000      7.1999999E-03
 C   -2.586000      -1.835700      0.4579000    
 C   -2.510500      0.5456000      5.7599999E-02
 C   -3.970700      -1.819700      0.2908000    
 C   -3.895200      0.5617000     -0.1095000    
 C   8.0100000E-02   4.305900       1.037600    
 C   0.3684000       3.896200      -1.383700    
 H    5.962300      -2.938700     -0.7769000    
 H    7.378400      -1.863200     -0.8704000    
 H    5.977500      -1.570500      -1.952400    
 H    5.676000      -2.510700       1.609900    
 H    7.082400      -1.418100       1.644300    
 H    5.489500     -0.8229000       2.217500    
 H    6.144200      0.7624000      -1.102200    
 H    7.400400      0.2913000      6.0800001E-02
 H    5.938000       1.079600      0.6864000    
 H    4.128700       1.201000     -0.4711000    
 H    3.984200      -3.071100      0.2470000    
 H    1.555800      -3.014700     -5.2400000E-02
 H   -2.084100      -2.773300      0.6811000    
 H   -1.950300       1.472100     -3.2900002E-02
 H   -4.518800      -2.751900      0.3940000    
 H   -4.384300       1.508000     -0.3227000    
 H   0.2666000       3.888400       2.030200    
 H  -0.9969000       4.445400      0.9072000    
 H   0.5879000       5.271300      0.9562000    
 H   0.8796000       4.855800      -1.503700    
 H  -0.7041000       4.029300      -1.553000    
 H   0.7577000       3.193300      -2.122700    
 H   -6.711600      0.5270000       1.703200    


%chk=000048682-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048682

1 1
S -6.834557 -0.829766 0.636622
O 1.564007 1.699512 -0.543884
O 3.498654 3.052363 -0.901650
O -7.058861 -0.790153 -1.202045
O -7.444840 -2.206728 1.221369
O -7.249484 0.605038 1.254239
N 5.658647 -0.968253 0.609808
N -0.071007 -0.264811 0.286104
N 1.327689 3.825595 -1.371446
N -0.788856 -1.348962 0.436280
C 4.140549 -0.794448 0.498243
C 6.101962 -2.154144 -0.259482
C 6.033915 -1.229393 2.076320
C 6.432794 0.266858 0.142805
C 3.613648 0.414048 0.020835
C 3.312135 -1.870709 0.894541
C 2.203611 0.562903 -0.063226
C 1.920650 -1.712731 0.807045
C 1.338513 -0.504888 0.337641
C 2.246914 2.912962 -0.950162
C -2.201941 -1.133079 0.466720
C -4.960346 -0.956058 0.548230
C -2.821903 0.150547 0.485308
C -2.983376 -2.319385 0.504528
C -4.222987 0.243505 0.526441
C -4.390115 -2.238120 0.539585
C 1.807134 5.143748 -1.838531
C -0.133104 3.602115 -1.409022
H 5.600597 -3.068465 0.084866
H 7.193678 -2.268953 -0.173784
H 5.817247 -1.947775 -1.301561
H 5.537993 -2.145572 2.424229
H 7.126863 -1.342180 2.148622
H 5.694227 -0.375046 2.679898
H 6.203419 0.469826 -0.912868
H 7.506612 0.053641 0.255810
H 6.159300 1.132377 0.762668
H 4.216276 1.265951 -0.292941
H 3.717011 -2.815950 1.269448
H 1.243782 -2.517813 1.107182
H -2.194304 1.045764 0.473584
H -2.472039 -3.286430 0.498885
H -4.737776 1.208852 0.559977
H -5.020990 -3.131286 0.576402
H 2.903494 5.181243 -1.769985
H 1.374469 5.945352 -1.213170
H 1.500618 5.305962 -2.887614
H -0.494415 3.673244 -2.451369
H -0.639743 4.379190 -0.807960
H -0.376914 2.610562 -1.007533
H -8.039955 -0.740062 -1.398702


