%chk=000116954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116954

1 1
 S    5.583900      -1.415000      0.2795000    
 O    6.367100      -2.385100     -0.7724000    
 O    4.828300      -2.241800       1.202800    
 O    6.507100     -0.3990000      0.7519000    
 N    1.539300       1.695800     -0.4480000    
 N   -4.548400     -0.3773000     -5.6400001E-02
 C    1.853400       3.132700     -0.2381000    
 C   0.8885000       3.504400      0.8704000    
 C  -0.2736000       2.547600      0.6652000    
 C   0.4021000       1.355200      4.8700001E-02
 C    2.493900      0.8366000      -1.173000    
 C   -5.736500      -2.317100      0.4226000    
 C   -5.912600     -0.8839000     -8.2599998E-02
 C   -4.329700      -2.714300     -3.0500000E-02
 C   -3.604600      -1.389500     -3.3500001E-02
 C    3.437400      0.1901000     -0.1700000    
 C  -0.2249000      3.6300000E-02  4.1200001E-02
 C   -4.299900       1.037700     -0.2091000    
 C   -2.269200      -1.297500     -1.5000000E-03
 C    4.469200     -0.6785000     -0.8735000    
 C   -1.560700     -3.9299998E-02  8.9999996E-03
 C   -5.610100       1.801700     -0.2028000    
 H    1.649000       3.658800      -1.175400    
 H    2.900100       3.246100      5.7000000E-02
 H    1.351700       3.321600       1.848700    
 H   0.5885000       4.555700      0.8356000    
 H  -0.7704000       2.305200       1.608700    
 H   -1.000300       2.966100     -4.0500000E-02
 H    3.035100       1.465500      -1.888300    
 H    1.931000      8.8000000E-02  -1.740700    
 H   -5.787100      -2.333500       1.519100    
 H   -6.508300      -2.992600      4.1800000E-02
 H   -6.304200     -0.8843000      -1.106300    
 H   -6.607800     -0.3650000      0.5830000    
 H   -3.884300      -3.449100      0.6466000    
 H   -4.359800      -3.125600      -1.045700    
 H    3.951200      0.9602000      0.4204000    
 H    2.872900     -0.4155000      0.5503000    
 H   0.4047000     -0.8460000      2.4200000E-02
 H   -3.785000       1.251300      -1.151900    
 H   -3.750300       1.426400      0.6540000    
 H   -1.674000      -2.207200      2.0099999E-02
 H    5.064000     -9.2100002E-02  -1.581000    
 H    3.971900      -1.490600      -1.414100    
 H   -2.067100      0.8990000     -2.9500000E-02
 H   -5.403600       2.869400     -0.3429000    
 H   -6.139000       1.713400      0.7521000    
 H   -6.277400       1.503900      -1.018200    
 H    5.849500      -3.155700      -1.105300    


%chk=000116954-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116954

1 1
S 4.420876 -2.102838 1.021346
O 5.445798 -3.268694 0.013594
O 2.949128 -2.719236 1.296264
O 5.278702 -1.494508 2.247959
N 1.817180 2.080965 -0.892801
N -4.542756 -0.540843 0.151897
C 2.221160 3.511420 -0.753085
C 1.019306 4.147875 -0.014721
C -0.173144 3.205698 -0.348429
C 0.486309 1.868402 -0.667541
C 2.799120 1.046026 -1.263473
C -5.368455 -2.763556 -0.129351
C -5.832412 -1.304643 0.086302
C -3.993604 -2.608689 -0.827049
C -3.504511 -1.228090 -0.401287
C 3.267400 0.235436 -0.023077
C -0.148939 0.612728 -0.752393
C -4.471600 0.844252 0.681592
C -2.157152 -0.839041 -0.619297
C 4.286309 -0.834877 -0.421896
C -1.528499 0.419307 -0.509272
C -5.650151 1.235074 1.587114
H 2.382274 3.947809 -1.758187
H 3.166686 3.587604 -0.188642
H 1.204847 4.154055 1.072594
H 0.839274 5.185395 -0.335144
H -0.889359 3.130328 0.485686
H -0.733254 3.558190 -1.235886
H 3.657346 1.548612 -1.742885
H 2.353522 0.368806 -2.016602
H -5.248948 -3.268916 0.843932
H -6.088749 -3.341570 -0.728208
H -6.440207 -0.926550 -0.759315
H -6.407082 -1.167141 1.014006
H -3.272432 -3.395342 -0.550194
H -4.088732 -2.631448 -1.930446
H 3.704127 0.918355 0.727717
H 2.386077 -0.247402 0.439989
H 0.448496 -0.269837 -1.010557
H -4.407503 1.551708 -0.171450
H -3.529415 0.925350 1.256393
H -1.519516 -1.666596 -0.956672
H 5.318869 -0.478922 -0.555030
H 3.972790 -1.470132 -1.265736
H -2.119613 1.304126 -0.249214
H -5.487020 2.263945 1.951899
H -5.725154 0.577918 2.470534
H -6.614444 1.225672 1.051493
H 5.768053 -4.012985 0.599233


