%chk=000178424.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178424

0 1
 S  -3.2000002E-02  -1.118900      -1.611600    
 O    3.437900       1.473200      0.4568000    
 O    1.612600       2.865700      0.5233000    
 O   -4.495900       3.919000       1.376700    
 O   -4.383700       4.467000     -0.7461000    
 N    2.763100     -9.7099997E-02  -1.030700    
 N   -2.363400      -2.456100      -1.531800    
 N   -1.594600      -1.910500      0.4811000    
 N   -3.973700       3.809400      0.2409000    
 C   0.3962000      0.2150000     -0.4543000    
 C    1.681400      0.8986000     -0.9227000    
 C  -0.7650000       1.169700     -0.2702000    
 C    2.193400       1.883600      9.4499998E-02
 C    3.678800      0.3383000     -0.2279000    
 C   -1.343500       1.293700      0.9802000    
 C   -1.220000       1.896000      -1.356200    
 C   -1.371900      -1.848600     -0.8127000    
 C    4.966500     -0.2484000      5.0200000E-02
 C   -3.287600      -2.942000     -0.6429000    
 C   -2.412700       2.173300       1.150400    
 C   -2.289100       2.775700      -1.185900    
 C   -2.785200      -2.588900      0.6065000    
 C   -2.885500       2.914300      6.7299999E-02
 C   -4.483600      -3.638800     -0.8191000    
 C    5.356800      -1.436000     -0.5821000    
 C    5.843200      0.3620000      0.9565000    
 C   -3.505400      -2.943900       1.759500    
 C   -5.187500      -3.984000      0.3393000    
 C   -4.708800      -3.643800       1.606600    
 C    6.602300      -2.003600     -0.3127000    
 C    7.088600     -0.2054000       1.225800    
 C    7.468200      -1.388200      0.5912000    
 H   0.6120000     -0.2719000      0.5070000    
 H    1.580100       1.417700      -1.883100    
 H  -0.9830000      0.7249000       1.832300    
 H  -0.7680000       1.804900      -2.339300    
 H   -2.406600      -2.532200      -2.539100    
 H   -2.852300       2.255600       2.141200    
 H   -2.630500       3.337000      -2.052000    
 H   -4.853000      -3.901700      -1.803800    
 H   -3.142100      -2.683700       2.748500    
 H    4.699300      -1.934400      -1.290200    
 H    5.586500       1.283700       1.472000    
 H   -6.124900      -4.527500      0.2506000    
 H   -5.278300      -3.925900       2.488500    
 H    6.898000      -2.924600     -0.8067000    
 H    7.763400      0.2733000       1.929500    
 H    8.437900      -1.830000      0.8010000    


%chk=000178424-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178424

0 1
S -0.208857 -0.777903 -1.924889
O 3.340373 1.490526 0.711388
O 1.603773 3.068090 0.763808
O -4.756468 4.377406 1.112229
O -4.204651 5.288490 -0.904840
N 2.653532 0.085466 -1.027229
N -2.294521 -2.607492 -1.593146
N -1.481634 -1.778879 0.375265
N -4.037636 4.423003 0.040169
C 0.208668 0.505772 -0.540444
C 1.596584 1.115531 -0.875043
C -0.901555 1.529873 -0.416327
C 2.086154 2.049930 0.267564
C 3.575014 0.334699 -0.131372
C -1.723935 1.517278 0.739172
C -1.136176 2.501112 -1.426021
C -1.389451 -1.747523 -0.961205
C 4.814808 -0.401679 0.122925
C -3.029152 -3.252460 -0.579467
C -2.755156 2.462902 0.897884
C -2.159628 3.452701 -1.284948
C -2.509718 -2.715710 0.648163
C -2.955510 3.420832 -0.117547
C -4.057762 -4.213671 -0.611022
C 5.093367 -1.570064 -0.638088
C 5.730693 0.038562 1.115383
C -3.033331 -3.150301 1.885666
C -4.569012 -4.634653 0.636992
C -4.064927 -4.113012 1.863304
C 6.281477 -2.288440 -0.404677
C 6.918309 -0.687651 1.341605
C 7.196314 -1.849550 0.584336
H 0.271433 -0.117622 0.366875
H 1.530604 1.708464 -1.807440
H -1.559243 0.749800 1.501300
H -0.528106 2.507154 -2.337467
H -2.418209 -2.713357 -2.598580
H -3.398431 2.471451 1.781297
H -2.355190 4.211413 -2.046883
H -4.450872 -4.620584 -1.548294
H -2.641897 -2.750453 2.825888
H 4.372094 -1.893116 -1.395503
H 5.505239 0.938223 1.695435
H -5.371678 -5.379498 0.662155
H -4.489388 -4.469538 2.807882
H 6.496986 -3.189147 -0.989037
H 7.625471 -0.349316 2.106093
H 8.119603 -2.411560 0.762991


