%chk=000034633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034633

0 1
 S   0.6288000       3.613200      -1.549200    
 O    3.272300      -5.388100      -1.449700    
 O    1.607200      0.2006000       2.580800    
 O   -5.650100      -1.081000      0.5995000    
 O   -5.532400      0.6528000     -0.8874000    
 N    2.288000      -3.264000      0.1691000    
 N    1.046500       1.235000      0.5574000    
 N   -3.654000     -7.7200003E-02  0.3124000    
 C    2.419700      -1.961100      0.8179000    
 C    3.307400      -4.199200      0.6649000    
 C    2.392700      -3.132900      -1.290700    
 C    1.109100      -1.208500      0.7138000    
 C    3.158300      -5.547000     -3.5200000E-02
 C    2.264200      -4.505800      -1.944200    
 C    1.261200      0.1320000       1.401100    
 C  -0.2622000       1.442500     -1.9200001E-02
 C    2.111500       2.190100      0.3596000    
 C  -0.5540000       2.448600     -0.9491000    
 C    2.018800       3.287500     -0.5084000    
 C   -1.338400      0.6212000      0.3938000    
 C    3.342700       2.013200       1.034100    
 C   -1.858300       2.585100      -1.467800    
 C   -2.629200      0.7642000     -0.1214000    
 C    3.097100       4.186700     -0.6429000    
 C   -2.888900       1.745600      -1.060900    
 C    4.407900       2.907400      0.8946000    
 C    4.281800       4.003200      6.0100000E-02
 C   -4.991300     -8.8500001E-02 -7.5999998E-02
 C   -7.045500      -1.220800      0.3077000    
 C   -7.611000      -2.355100       1.135500    
 H    3.253700      -1.378300      0.4047000    
 H    2.645200      -2.100300       1.883900    
 H    4.312300      -3.798300      0.4784000    
 H    3.195900      -4.350200       1.744800    
 H    3.360200      -2.692200      -1.565200    
 H    1.603700      -2.493300      -1.697400    
 H   0.3105000      -1.766600       1.216100    
 H   0.8187000      -1.065000     -0.3305000    
 H    3.954300      -6.225000      0.2886000    
 H    2.199500      -6.023100      0.2036000    
 H    2.402100      -4.417800      -3.026700    
 H    1.274600      -4.946000      -1.770700    
 H   -1.204300     -0.1307000       1.166900    
 H    3.529400       1.166000       1.686800    
 H   -2.086700       3.359700      -2.198700    
 H    3.028400       5.041600      -1.314000    
 H   -3.854900       1.924100      -1.511500    
 H    5.333500       2.737300       1.436500    
 H    5.103300       4.702700     -5.7700001E-02
 H   -3.392600     -0.7758000       1.004000    
 H   -7.175100      -1.439800     -0.7579000    
 H   -7.564800     -0.2880000      0.5541000    
 H   -8.677900      -2.490000      0.9370000    
 H   -7.472000      -2.159000       2.203800    
 H   -7.088700      -3.291600      0.9137000    


%chk=000034633-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034633

0 1
S 1.489916 3.075644 -1.951817
O 2.047932 -6.153285 -1.438510
O 3.192444 0.173065 1.606972
O -5.229919 -0.998951 0.688747
O -5.007147 0.322603 -1.249785
N 2.212533 -3.561867 -0.114211
N 1.474384 1.341850 0.535552
N -3.226666 -0.047528 0.278333
C 2.738727 -2.197693 0.135270
C 3.269706 -4.595013 0.060038
C 1.580464 -3.710994 -1.452778
C 1.600890 -1.172014 0.326958
C 2.669629 -5.999184 -0.111939
C 1.006242 -5.128422 -1.611889
C 2.151732 0.143281 0.890519
C 0.198824 1.361271 -0.141823
C 2.103090 2.629483 0.766148
C 0.050405 2.132696 -1.321402
C 2.171326 3.551349 -0.308648
C -0.917089 0.680397 0.389466
C 2.641363 2.985166 2.024269
C -1.191895 2.161991 -1.987794
C -2.158383 0.689047 -0.296616
C 2.778670 4.813134 -0.137999
C -2.293562 1.430798 -1.501337
C 3.268660 4.238781 2.190280
C 3.340607 5.151950 1.113074
C -4.521274 -0.179734 -0.206273
C -6.654951 -1.253966 0.325735
C -7.225923 -2.164756 1.407268
H 3.418703 -1.853364 -0.684206
H 3.339244 -2.217929 1.061179
H 4.099522 -4.461524 -0.679212
H 3.698687 -4.498776 1.075359
H 2.319242 -3.518045 -2.272102
H 0.757473 -2.980411 -1.558685
H 0.880163 -1.613236 1.043312
H 1.051223 -0.987947 -0.611320
H 3.450952 -6.775421 -0.060316
H 1.910119 -6.178582 0.679701
H 0.606697 -5.283061 -2.627886
H 0.198629 -5.285935 -0.864095
H -0.811136 0.142865 1.338584
H 2.593406 2.270128 2.847559
H -1.304096 2.765271 -2.894325
H 2.808236 5.520514 -0.973061
H -3.251784 1.444234 -2.023468
H 3.698868 4.501390 3.162315
H 3.821950 6.126605 1.245574
H -3.044692 -0.545313 1.152510
H -6.681527 -1.719064 -0.676213
H -7.179221 -0.282857 0.270584
H -8.285451 -2.386335 1.184592
H -7.173492 -1.682966 2.398495
H -6.674250 -3.119240 1.452114


