%chk=000175648.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175648

0 1
 S  -0.7701000      -2.188300      0.1782000    
 O    3.953100     -0.7530000     -2.9000000E-03
 O    1.501700       1.842900      0.3153000    
 N   -2.356100      -1.706600      0.3022000    
 N    1.257700     -0.4784000      0.1737000    
 N    3.353800      0.5167000      0.1180000    
 C   -3.693000      0.2848000      0.5118000    
 C   -4.311000      0.6487000     -0.8499000    
 C   -2.377900     -0.3789000      0.3914000    
 C   -1.124700      0.2971000      0.3634000    
 C  -0.1297000     -0.6174000      0.2451000    
 C   -5.678800       1.297200     -0.7062000    
 C    1.980900      0.7135000      0.2108000    
 C    4.323100       1.597100      0.1355000    
 C    4.070900      -1.075500      -1.386400    
 H   -4.388200     -0.3622000       1.062900    
 H   -3.589500       1.196800       1.113900    
 H   -3.643300       1.331600      -1.389400    
 H   -4.406100     -0.2529000      -1.467500    
 H   -1.000800       1.369500      0.4265000    
 H   -6.380800      0.6229000     -0.2055000    
 H   -5.614100       2.221300     -0.1232000    
 H   -6.087300       1.543800      -1.691100    
 H    1.776000      -1.348600      9.6400000E-02
 H    3.841200       2.557600      0.3339000    
 H    4.826000       1.646100     -0.8336000    
 H    5.061200       1.393300      0.9164000    
 H    4.375800      -2.122900      -1.463500    
 H    4.841800     -0.4600000      -1.858700    
 H    3.119100     -0.9559000      -1.913500    


%chk=000175648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175648

0 1
S -0.754208 -2.518545 0.488830
O 3.808370 -0.684523 -0.099896
O 1.170483 1.781358 -0.039276
N -2.485670 -1.951113 0.623187
N 1.218169 -0.583108 0.118297
N 3.182058 0.627375 -0.340991
C -3.814840 0.109602 0.573887
C -4.174716 0.848326 -0.743339
C -2.479373 -0.601903 0.505498
C -1.214711 0.069773 0.317457
C -0.147708 -0.819085 0.283462
C -5.526478 1.585465 -0.640496
C 1.793921 0.682251 -0.064670
C 4.057321 1.764692 -0.024044
C 4.410496 -1.179063 -1.365088
H -4.597492 -0.633639 0.810918
H -3.793397 0.843459 1.404784
H -3.372723 1.569897 -0.993536
H -4.206546 0.112710 -1.569852
H -1.089607 1.147188 0.223820
H -6.347587 0.880030 -0.412992
H -5.504613 2.346560 0.162338
H -5.774668 2.099329 -1.587008
H 1.888709 -1.356209 0.180112
H 3.445438 2.676557 -0.105553
H 4.887398 1.820625 -0.748152
H 4.464222 1.684338 1.001877
H 4.814179 -2.171122 -1.106334
H 5.228688 -0.512975 -1.691627
H 3.645786 -1.257948 -2.157616


