%chk=000107841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107841

0 1
 S    1.099500      -3.571700       1.218200    
 O    1.800400      0.5856000      -2.229400    
 O   -5.632400      0.6474000     -0.5013000    
 O   -5.355200      -1.288000      0.6850000    
 N    1.945200       3.641100      0.7524000    
 N    1.296000     -0.8370000     -0.4406000    
 N   -3.538400     -0.1485000     -0.2644000    
 C    2.264400       2.495800     -9.0099998E-02
 C    1.056100       1.587600     -0.1895000    
 C    1.402700      0.4109000      -1.077200    
 C   2.4000001E-03  -1.292300      1.4900000E-02
 C    2.464500      -1.679700     -0.3389000    
 C    3.166000       4.234800       1.301300    
 C    1.189600       4.642900     -2.4999999E-03
 C  -0.1963000      -2.469400      0.7480000    
 C    2.477100      -2.912100      0.3299000    
 C   -1.151700     -0.5452000     -0.3209000    
 C    3.688900      -1.246800     -0.9006000    
 C    4.060700       4.770600      0.1965000    
 C   0.7923000       5.812400      0.8820000    
 C   -1.492200      -2.844800       1.158400    
 C   -2.433400     -0.9248000      8.5699998E-02
 C    3.654000      -3.687700      0.3791000    
 C   -2.603900      -2.075600      0.8340000    
 C    4.852000      -2.020100     -0.8465000    
 C    4.832600      -3.249100     -0.2123000    
 C   -4.880500     -0.3610000      4.0100001E-02
 C   -7.044600      0.5703000     -0.2745000    
 C   -7.715800       1.754400     -0.9370000    
 H    3.080400       1.906400      0.3506000    
 H    2.603200       2.794700      -1.090500    
 H   0.7600000       1.256200      0.8123000    
 H   0.2030000       2.096800     -0.6474000    
 H    3.714900       3.472500       1.869700    
 H    2.949400       5.016000       2.037600    
 H   0.2490000       4.200600     -0.3498000    
 H    1.696600       4.998400     -0.9066000    
 H   -1.084200      0.3366000     -0.9521000    
 H    3.792700     -0.2848000      -1.392900    
 H    3.637600       5.634200     -0.3238000    
 H    4.996300       5.122900      0.6477000    
 H    4.348500       4.015400     -0.5403000    
 H   3.9900001E-02   6.421300      0.3680000    
 H    1.632800       6.476400       1.105100    
 H   0.3472000       5.474900       1.824500    
 H   -1.649500      -3.754000       1.737200    
 H    3.667400      -4.646500      0.8953000    
 H   -3.556400      -2.440700       1.190700    
 H    5.769300      -1.652400      -1.296900    
 H    5.730500      -3.856700     -0.1623000    
 H   -3.340300      0.6835000     -0.8150000    
 H   -7.242400      0.5879000      0.8030000    
 H   -7.432100     -0.3614000     -0.7013000    
 H   -7.324900       2.694300     -0.5335000    
 H   -7.511500       1.760900      -2.012700    
 H   -8.798200       1.727000     -0.7832000    


%chk=000107841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107841

0 1
S 1.924983 -2.682254 1.779669
O 3.074773 0.699714 -1.617269
O -5.375790 0.479791 -0.554635
O -4.937956 -0.959442 1.259917
N 1.695593 3.968348 0.772366
N 1.608441 -0.796032 -0.573617
N -3.246098 -0.180062 -0.213861
C 2.378339 2.730332 0.328544
C 1.349071 1.700666 -0.222725
C 2.065054 0.518712 -0.876354
C 0.360424 -1.067980 0.099387
C 2.431372 -1.947555 -0.896354
C 2.238282 4.553346 2.023587
C 1.470928 4.927030 -0.337549
C 0.346254 -1.940846 1.215584
C 2.656110 -2.923183 0.107632
C -0.853736 -0.530858 -0.378706
C 3.004477 -2.123242 -2.177538
C 3.667165 5.159150 1.939554
C 0.436105 6.018298 -0.005385
C -0.869510 -2.218152 1.873442
C -2.071003 -0.786886 0.301967
C 3.452706 -4.057428 -0.154950
C -2.077273 -1.634230 1.442531
C 3.819744 -3.246543 -2.434419
C 4.047936 -4.211837 -1.426772
C -4.541640 -0.295588 0.270110
C -6.819732 0.477249 -0.179592
C -7.535304 1.370038 -1.187785
H 2.897229 2.278900 1.194550
H 3.150433 2.913443 -0.450350
H 0.670958 1.397100 0.588973
H 0.732552 2.207119 -0.991358
H 2.227814 3.755007 2.790419
H 1.533403 5.328232 2.378187
H 1.100564 4.344771 -1.203527
H 2.423227 5.406286 -0.678097
H -0.840579 0.094658 -1.278670
H 2.834570 -1.368279 -2.946921
H 3.710661 6.008870 1.233999
H 3.982463 5.530444 2.932668
H 4.403821 4.403498 1.610250
H 0.219593 6.623858 -0.904782
H 0.794925 6.708895 0.779037
H -0.504757 5.558342 0.345668
H -0.876149 -2.899325 2.730366
H 3.601328 -4.809955 0.626209
H -3.016240 -1.838823 1.959725
H 4.274121 -3.367205 -3.423371
H 4.675751 -5.085886 -1.629703
H -3.149085 0.417476 -1.037526
H -6.911979 0.851231 0.856120
H -7.184713 -0.565436 -0.204231
H -7.141248 2.400090 -1.152959
H -7.414219 0.983365 -2.214082
H -8.614964 1.403168 -0.954175


