%chk=000168795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168795

0 1
 S   -3.512900       1.969100      0.5707000    
 O  -0.5839000       1.504900      0.9981000    
 O   -4.909700       1.655500      0.8313000    
 O   -2.771000       2.806500       1.501200    
 O   -2.590900      -4.159200     -0.7444000    
 O   -4.607800      -3.117700     -0.8620000    
 N   0.7943000     -0.9051000      0.6688000    
 N   -3.377900       2.634200     -0.9966000    
 C  -0.5954000     -0.8164000      0.4342000    
 C   -1.269400      0.3933000      0.6026000    
 C   -2.642400      0.4653000      0.3670000    
 C    1.604900      -1.954100      0.1348000    
 C   -1.294200      -1.954000      2.9800000E-02
 C   -3.341400     -0.6723000     -3.6800001E-02
 C   -2.667200      -1.882000     -0.2055000    
 C    3.056500      -1.562700      0.1585000    
 C   0.4440000       1.946200      0.1846000    
 C    3.608100     -0.9075000     -0.9349000    
 C    3.828400      -1.861300       1.273900    
 C   -3.396100      -3.067900     -0.6269000    
 C    4.954800     -0.5444000     -0.9125000    
 C    5.175100      -1.498300       1.296200    
 C   0.2420000       2.011100      -1.183000    
 C    1.649200       2.312100      0.7578000    
 C    5.738400     -0.8396000      0.2032000    
 C    1.278500       2.456700      -2.003600    
 C    2.685600       2.757400     -6.2799998E-02
 C    2.500400       2.830200      -1.443500    
 H    1.205700     -0.2260000       1.297400    
 H    1.330600      -2.182700     -0.9038000    
 H    1.464700      -2.879700      0.7071000    
 H  -0.7678000      -2.896500     -8.5400000E-02
 H   -4.409900     -0.6193000     -0.2292000    
 H    3.006500     -0.6705000      -1.808000    
 H    3.399200      -2.371800       2.131500    
 H   -4.224700       2.663300      -1.577400    
 H   -2.762000       3.447400      -1.118400    
 H    5.392600     -3.0200001E-02  -1.763100    
 H    5.785000      -1.727500       2.165100    
 H  -0.7005000       1.737200      -1.645500    
 H    1.795700       2.255900       1.832200    
 H    6.786700     -0.5561000      0.2210000    
 H    1.133900       2.514400      -3.078500    
 H    3.637500       3.046000      0.3732000    
 H    3.307700       3.176000      -2.082300    
 H   -3.091500      -4.953200      -1.029400    


%chk=000168795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168795

0 1
S -3.604185 1.962872 0.549328
O -0.567263 1.515417 0.807687
O -5.117549 1.686782 0.018755
O -3.337474 2.562938 2.032602
O -2.688520 -4.363934 -0.640406
O -4.732480 -3.262175 -0.688825
N 0.824313 -0.932383 0.529279
N -2.828339 3.043223 -0.725875
C -0.543527 -0.907321 0.326660
C -1.254625 0.335929 0.442290
C -2.648389 0.352102 0.294642
C 1.652949 -2.136059 0.377131
C -1.300978 -2.068436 0.005388
C -3.405448 -0.782099 -0.018964
C -2.701533 -2.002036 -0.176603
C 3.137365 -1.789478 0.360727
C 0.375368 2.092324 -0.106192
C 3.623407 -0.703447 -0.413301
C 4.057821 -2.575110 1.096616
C -3.492497 -3.216183 -0.517890
C 5.005128 -0.412192 -0.446655
C 5.441625 -2.289926 1.056149
C 0.370256 1.814964 -1.489939
C 1.289777 3.000331 0.468556
C 5.919337 -1.205758 0.284928
C 1.324674 2.458163 -2.309950
C 2.232886 3.637856 -0.367730
C 2.258699 3.365702 -1.756518
H 1.270277 -0.104176 0.925753
H 1.377736 -2.632740 -0.577103
H 1.448690 -2.868360 1.187667
H -0.812732 -3.040725 -0.085884
H -4.490995 -0.729331 -0.144556
H 2.923262 -0.088566 -0.991686
H 3.692034 -3.410923 1.705671
H -3.596558 3.518360 -1.229948
H -2.178474 3.697213 -0.258762
H 5.367333 0.430520 -1.045995
H 6.142211 -2.906583 1.629905
H -0.376233 1.138553 -1.916707
H 1.248624 3.195001 1.544566
H 6.991053 -0.980128 0.256283
H 1.327529 2.255504 -3.386483
H 2.946416 4.345196 0.068296
H 2.990851 3.862854 -2.401266
H -3.272421 -5.137034 -0.864942


