%chk=000001263.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001263

0 1
 S   -1.668100      -2.610900      -2.881200    
 S    3.105000      3.8400002E-02  -1.060800    
 O   -1.996500      0.9330000      -1.532100    
 O  -0.4006000       1.873600       1.489800    
 O  -0.5034000       3.205700     -0.3811000    
 N   0.1063000      0.1310000      -1.038600    
 N    6.333300     -0.6778000      0.1251000    
 N    7.089200     -0.2492000       1.145500    
 N    6.732900      -2.443100       1.319400    
 N    7.330200      -1.333200       1.872900    
 C   -1.821000      -1.215600     -0.4210000    
 C   -3.360900      -1.225200     -0.3603000    
 C   -3.904400     -0.3389000      0.7685000    
 C   -1.252600      -2.466300      -1.114000    
 C   -5.411500     -0.2965000      0.7639000    
 C   -1.268300      5.6800000E-02  -1.073000    
 C   -6.079600      0.6795000      2.4200000E-02
 C   -6.138100      -1.233600       1.498800    
 C   0.6712000       1.126900     -0.4270000    
 C    2.126600       1.245300     -0.3411000    
 C    4.540300      0.8326000     -0.5697000    
 C   -7.473800      0.7187000      1.9700000E-02
 C   -7.532400      -1.194300       1.494100    
 C    5.852400      0.2451000     -0.9171000    
 C   -8.200200     -0.2182000      0.7545000    
 C    2.879000       2.230600      0.2593000    
 C    4.277400       1.991700      0.1269000    
 C  -0.1535000       2.208300      0.2152000    
 C    6.121300      -2.014700      0.2393000    
 H   -1.444300      -1.222600      0.6115000    
 H   -3.786200     -0.9075000      -1.320900    
 H   -3.713600      -2.251000     -0.1901000    
 H   -3.515600      0.6830000      0.6810000    
 H   -3.551000     -0.7090000       1.739400    
 H   -1.622700      -3.366400     -0.6111000    
 H  -0.1604000      -2.487400      -1.034000    
 H   -5.524400       1.413400     -0.5539000    
 H   -5.629100      -2.000000       2.077300    
 H  -0.9866000      -1.532300      -3.294000    
 H   -7.994000       1.478300     -0.5566000    
 H   -8.098300      -1.924100       2.065800    
 H    6.620500       1.019600      -1.028200    
 H    5.826000     -0.3255000      -1.852800    
 H    2.460900       3.087600      0.7721000    
 H   -9.285900     -0.1879000      0.7506000    
 H    5.047900       2.640300      0.5240000    
 H    5.542600      -2.601900     -0.4585000    
 H  -0.9373000       2.550700       1.954100    


%chk=000001263-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001263

0 1
S -1.842652 -2.579117 -2.957888
S 3.028593 -0.019967 -1.079104
O -1.952757 0.834418 -1.633498
O -1.173577 1.758308 1.340937
O 0.424677 3.412942 1.005888
N 0.060166 0.224596 -0.632412
N 6.593914 -0.659508 -0.152187
N 7.715062 -0.129015 0.525127
N 7.238807 -2.208591 1.314515
N 8.090818 -1.075684 1.403200
C -1.875232 -1.278043 -0.339621
C -3.418659 -1.280063 -0.307219
C -4.007513 -0.276339 0.721391
C -1.274171 -2.462345 -1.154848
C -5.528953 -0.256821 0.699486
C -1.316274 0.045240 -0.879021
C -6.220345 0.377923 -0.366429
C -6.289342 -0.888234 1.716311
C 0.714632 1.175160 -0.020073
C 2.167358 1.242630 -0.105082
C 4.606230 0.748969 -0.671023
C -7.631633 0.381385 -0.413906
C -7.703033 -0.888877 1.672517
C 5.898709 0.155341 -1.173391
C -8.379353 -0.253500 0.606211
C 3.072176 2.149365 0.457685
C 4.439407 1.869706 0.137439
C 0.011924 2.251562 0.809534
C 6.334151 -1.908916 0.350834
H -1.480143 -1.399027 0.692427
H -3.800589 -1.044680 -1.315947
H -3.766378 -2.303346 -0.064118
H -3.614801 0.730019 0.482468
H -3.645382 -0.538658 1.735241
H -1.606866 -3.417667 -0.715887
H -0.173337 -2.420519 -1.139324
H -5.644939 0.873782 -1.158477
H -5.770370 -1.380957 2.548521
H -1.367737 -1.337952 -3.352610
H -8.148832 0.878718 -1.242526
H -8.274261 -1.380844 2.468297
H 6.604262 0.959859 -1.439647
H 5.739331 -0.465531 -2.071720
H 2.746384 3.001548 1.055903
H -9.474645 -0.250715 0.570767
H 5.279551 2.471323 0.493002
H 5.526101 -2.557495 0.026655
H -1.661778 2.476617 1.827403


