%chk=000043697.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043697

0 1
 S   -8.256000      0.1951000      3.3000000E-03
 S    8.239100     -0.1186000      5.2000000E-03
 O   -6.770000     -0.4812000      3.5900000E-02
 O    6.733600      0.5135000      2.4300000E-02
 O   -8.489600      0.7810000      -1.301000    
 O   -8.474900      0.9362000       1.228800    
 O    8.484000     -0.7399000      -1.280400    
 O    8.486100     -0.8121000       1.253100    
 N    1.893700      0.3673000     -1.3000000E-02
 C   -1.850900     -0.5054000     -1.9500000E-02
 C  -0.5829000      0.3538000     -2.9700000E-02
 C   -3.109700      0.3646000     -2.1700000E-02
 C   0.7034000     -0.4740000     -4.2800002E-02
 C   -4.375400     -0.4886000      2.2299999E-02
 C    3.103200     -0.4436000     -1.6000001E-02
 C    4.339300      0.4491000      2.4200000E-02
 C   -5.632600      0.3684000     -2.2800000E-02
 C    5.622000     -0.3712000       0.000000    
 C   -9.175100      -1.319900      0.1015000    
 C    9.112600       1.425500      4.8500001E-02
 H   -1.855500      -1.163100     -0.8971000    
 H   -1.848100      -1.149300      0.8682000    
 H  -0.5851000       1.005900      0.8533000    
 H  -0.6000000       1.011000     -0.9087000    
 H   -3.093300       1.039600      0.8426000    
 H   -3.119000      0.9917000     -0.9215000    
 H   0.7103000      -1.104700     -0.9404000    
 H   0.6998000      -1.139500      0.8292000    
 H   -4.386500      -1.104600      0.9302000    
 H   -4.388400      -1.193400     -0.8185000    
 H    1.893300      0.9933000     -0.8177000    
 H    3.113100      -1.107900      0.8566000    
 H    3.136900      -1.070200     -0.9157000    
 H    4.329200       1.079400      0.9229000    
 H    4.341100       1.142100     -0.8273000    
 H   -5.654000       1.058700      0.8276000    
 H   -5.664200      0.9508000     -0.9501000    
 H    5.667500     -0.9816000     -0.9087000    
 H    5.667900      -1.033000      0.8718000    
 H   -8.918300      -1.829900       1.031800    
 H   -10.23870      -1.072900      9.2600003E-02
 H   -8.928700      -1.940000     -0.7624000    
 H    8.845000       1.958000      0.9630000    
 H    10.18320       1.210500      4.1499998E-02
 H    8.843600       2.009200     -0.8339000    


%chk=000043697-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043697

0 1
S -8.488918 0.357823 0.016576
S 8.510812 0.011205 0.015252
O -6.848933 -0.536942 0.064705
O 6.766288 0.687653 0.048253
O -8.711572 1.016841 -1.446039
O -8.652616 1.276053 1.341011
O 8.829507 -0.612204 -1.445406
O 8.778447 -0.880429 1.340882
N 1.922234 0.166496 -0.122768
C -1.873382 -0.599874 -0.039339
C -0.564960 0.220662 -0.078872
C -3.135883 0.291397 -0.040243
C 0.697721 -0.662821 -0.081940
C -4.444719 -0.534253 0.010150
C 3.190932 -0.587666 -0.099641
C 4.389510 0.385656 -0.032193
C -5.680143 0.376354 -0.004334
C 5.726560 -0.367689 -0.030167
C -9.496514 -1.239072 0.185103
C 9.299991 1.725797 0.193030
H -1.908361 -1.286351 -0.910590
H -1.878286 -1.241541 0.865997
H -0.515039 0.902647 0.791867
H -0.565376 0.863427 -0.985300
H -3.097504 0.980530 0.828099
H -3.133013 0.928690 -0.948500
H 0.637531 -1.389916 -0.932842
H 0.726072 -1.266792 0.847306
H -4.463249 -1.155707 0.925597
H -4.491709 -1.222335 -0.855178
H 1.895965 0.831795 -0.909398
H 3.186278 -1.232948 0.801392
H 3.312546 -1.270087 -0.980576
H 4.302356 1.001653 0.879828
H 4.366667 1.072489 -0.900841
H -5.685548 1.054816 0.870759
H -5.724551 0.970187 -0.938230
H 5.858331 -0.953887 -0.960891
H 5.807795 -1.037847 0.847704
H -9.192746 -1.688425 1.138944
H -10.551511 -0.932985 0.175285
H -9.225727 -1.859520 -0.678532
H 8.932949 2.130137 1.144778
H 10.385907 1.559966 0.190903
H 8.956862 2.307117 -0.672099


