%chk=000093486.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093486

0 1
 S  -7.8299999E-02   3.882400       1.379500    
 O   9.5700003E-02   2.230300     -0.6581000    
 O   -3.271000      -2.753100      0.3017000    
 N   -1.264700       1.392600       1.162400    
 N   -2.274700     -0.7032000      0.7377000    
 C    3.504600      -1.006000      0.6806000    
 C    2.579500     -0.3942000     -0.3845000    
 C    4.975900     -0.8630000      0.2348000    
 C    3.171700      -2.503000      0.8602000    
 C    3.382500     -0.3417000       2.070800    
 C    1.761400      0.6447000     -1.8100001E-02
 C    2.613200     -0.9167000      -1.653000    
 C   0.9213000       1.198400     -0.9843000    
 C    1.773100     -0.3632000      -2.619300    
 C   0.9272000      0.6944000      -2.284900    
 C  -0.4550000       2.420400      0.6502000    
 C   -2.057800      0.5376000      0.3082000    
 C   -1.276500       1.099700       2.601300    
 C   -2.497300       1.102400     -0.8541000    
 C   -3.259200      0.2871000      -1.683700    
 C   -3.018600      -1.465800     -9.4400004E-02
 C   -3.529600      -1.022900      -1.303900    
 C   -2.723600      -3.157300       1.550900    
 H    5.659100      -1.253300      0.9984000    
 H    5.187800      -1.410300     -0.6902000    
 H    5.235500      0.1883000      6.2300000E-02
 H    3.347800      -3.083100     -5.2200001E-02
 H    3.789000      -2.952900       1.646800    
 H    2.121000      -2.642400       1.141500    
 H    4.060900     -0.8184000       2.789500    
 H    3.653800      0.7203000       2.044600    
 H    2.372000     -0.4385000       2.485500    
 H    1.746700       1.062900      0.9789000    
 H    3.262000      -1.738400      -1.935900    
 H    1.777000     -0.7557000      -3.632000    
 H   0.2747000       1.121100      -3.041700    
 H  -0.9055000      8.2699999E-02   2.765100    
 H   -2.302500       1.185700       2.972000    
 H  -0.6339000       1.776700       3.167700    
 H   -2.334400       2.133300      -1.143100    
 H   -3.650300      0.6747000      -2.619600    
 H   -4.124000      -1.670900      -1.938500    
 H   -3.129800      -2.555500       2.370900    
 H   -1.629600      -3.106600       1.535100    
 H   -3.010300      -4.199000       1.723100    


%chk=000093486-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093486

0 1
S 0.618709 2.443027 1.466818
O -0.139084 0.538833 -0.359422
O -5.274812 -1.966249 1.943020
N -1.755633 1.096694 1.184750
N -3.505644 -0.461078 1.495024
C 4.572683 -1.245411 -0.113800
C 3.467826 -0.392170 -0.780418
C 5.802329 -0.340973 0.201058
C 5.004404 -2.380632 -1.091076
C 4.096452 -1.894567 1.210741
C 2.169456 -0.270813 -0.229426
C 3.739110 0.302067 -1.993795
C 1.201421 0.522034 -0.874516
C 2.755461 1.087748 -2.628467
C 1.461892 1.208507 -2.070233
C -0.459220 1.335454 0.750187
C -2.679257 0.154556 0.597407
C -2.193076 1.819033 2.408263
C -2.777442 -0.079920 -0.794257
C -3.755456 -0.999657 -1.244937
C -4.433039 -1.330851 1.039502
C -4.605075 -1.649551 -0.332333
C -5.091487 -1.640439 3.370938
H 6.602856 -0.940744 0.673688
H 6.218545 0.117680 -0.713542
H 5.523821 0.474489 0.892870
H 5.384811 -1.974923 -2.045507
H 5.808368 -2.988576 -0.635387
H 4.153289 -3.047288 -1.321835
H 4.919974 -2.487932 1.648349
H 3.799776 -1.132601 1.954877
H 3.241755 -2.577525 1.050158
H 1.894854 -0.777394 0.698946
H 4.732535 0.230783 -2.451033
H 2.993147 1.612599 -3.560118
H 0.684729 1.819278 -2.538576
H -3.225344 1.518957 2.629042
H -2.118673 2.906023 2.237827
H -1.541851 1.560158 3.259673
H -2.118431 0.428311 -1.495415
H -3.853620 -1.196823 -2.317329
H -5.373318 -2.362544 -0.637994
H -5.302104 -0.573000 3.557915
H -4.060470 -1.863647 3.694438
H -5.818369 -2.280324 3.892122


