%chk=000057648.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057648

0 1
 S    2.511200      -3.101200      0.5085000    
 O    1.162600       2.863700     -0.6202000    
 O    3.741500       2.449200      -1.066500    
 O    3.769300      -3.804600      0.7149000    
 O    1.514300      -3.075400       1.569500    
 N   -4.737200      -1.533400      1.1600000E-02
 N   -4.386600     -0.6734000       1.142500    
 N   0.3940000       1.708800       1.239000    
 N    1.778400      -3.689200     -0.9185000    
 C   -3.814700      0.6961000     -0.8617000    
 C   -3.854300      0.6308000      0.6835000    
 C   -2.981400     -0.4749000      -1.401600    
 C   -5.255300      0.4828000      -1.356000    
 C   -3.523200      -1.774200     -0.7921000    
 C   -5.772000     -0.8450000     -0.7831000    
 C   -2.494900      0.9157000       1.324800    
 C   -1.976600       2.295200      0.9244000    
 C  -0.6487000       2.630900       1.595300    
 C    1.227300       1.903800      0.1433000    
 C    2.239200      0.8450000     -0.1061000    
 C    1.932500     -0.4480000      0.2696000    
 C    3.442900       1.171700     -0.6972000    
 C    2.869800      -1.456200      4.4500001E-02
 C    4.380100      0.1632000     -0.9219000    
 C    4.093600      -1.150700     -0.5509000    
 C    4.388300       3.269300     -9.5700003E-02
 H   -3.451200       1.651300      -1.247700    
 H   -4.555500       1.396500       1.042000    
 H   -3.052200     -0.5150000      -2.495400    
 H   -1.920800     -0.3511000      -1.157600    
 H   -5.896300       1.309200      -1.026700    
 H   -5.286100      0.4618000      -2.451800    
 H   -2.751200      -2.252600     -0.1756000    
 H   -3.748100      -2.492100      -1.590600    
 H   -6.101700      -1.498300      -1.600500    
 H   -6.664100     -0.6688000     -0.1682000    
 H   -3.707300      -1.155300       1.730200    
 H   -2.597000      0.8800000       2.417700    
 H   -1.768400      0.1393000       1.059500    
 H   -2.713300       3.061500       1.192700    
 H   -1.822200       2.353000     -0.1574000    
 H  -0.3419000       3.645200       1.317000    
 H  -0.7531000       2.601900       2.685200    
 H   0.5374000      0.9208000       1.861800    
 H   0.9685000     -0.7094000      0.6939000    
 H    5.334600      0.3933000      -1.387500    
 H    4.835600      -1.921000     -0.7416000    
 H    2.306600      -4.367000      -1.481500    
 H   0.7664000      -3.865100     -0.8973000    
 H    5.377800       2.867200      0.1438000    
 H    3.785700       3.347300      0.8148000    
 H    4.511100       4.269600     -0.5198000    


%chk=000057648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057648

0 1
S 1.579493 -3.028152 -0.335263
O 1.547118 3.197125 -0.672732
O 4.690913 2.145199 -0.120440
O 2.460749 -4.188933 0.384573
O 0.048280 -2.683037 0.128861
N -4.365797 -1.703765 0.530103
N -4.221501 -0.544265 1.420111
N 0.592761 2.111945 1.158079
N 1.607828 -3.494217 -2.113666
C -3.838522 0.439303 -0.806770
C -3.730247 0.709683 0.724401
C -2.854035 -0.684609 -1.230202
C -5.289322 -0.034238 -1.112196
C -3.128329 -1.917931 -0.303437
C -5.526195 -1.393583 -0.358186
C -2.327923 1.141822 1.223577
C -1.837942 2.480434 0.623749
C -0.553118 3.030997 1.289294
C 1.517699 2.212344 0.132241
C 2.431736 1.011434 0.007451
C 1.783023 -0.251674 -0.055071
C 3.850097 1.046641 -0.188910
C 2.517516 -1.409922 -0.312054
C 4.561473 -0.161709 -0.458476
C 3.909801 -1.400121 -0.522086
C 4.260304 3.446974 0.423783
H -3.626367 1.371405 -1.360616
H -4.436424 1.532687 0.970422
H -3.029886 -0.930986 -2.295010
H -1.802683 -0.350798 -1.147177
H -6.011803 0.731630 -0.772711
H -5.420618 -0.152893 -2.204759
H -2.280844 -2.105104 0.378414
H -3.280597 -2.843267 -0.888001
H -5.637149 -2.238043 -1.062979
H -6.425481 -1.346493 0.276237
H -3.636075 -0.822534 2.220346
H -2.381406 1.240916 2.330476
H -1.600506 0.332076 1.012403
H -2.633840 3.245287 0.733912
H -1.649587 2.369990 -0.460906
H -0.259426 3.982288 0.812732
H -0.728896 3.218451 2.365568
H 0.653458 1.313402 1.792407
H 0.697169 -0.325794 0.071151
H 5.643752 -0.085566 -0.594994
H 4.461946 -2.324757 -0.712426
H 1.700998 -4.522953 -2.160289
H 0.756911 -3.139527 -2.580814
H 3.726001 3.311660 1.382858
H 3.609153 3.969244 -0.294062
H 5.199739 3.994132 0.590386


