%chk=000063657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063657

0 1
 S   0.1172000      -3.498400      0.5260000    
 O   -1.183700     -0.7791000       2.952100    
 O    1.325500       1.079500       1.181400    
 O    4.786300     -0.9971000      0.9210000    
 O    5.378100     -0.4272000      -1.733800    
 N  -0.4183000     -0.9724000      0.7627000    
 N  -0.7274000      0.3172000      0.3810000    
 N   -2.341100       1.798100     -0.5056000    
 C   0.1239000      -1.849300     -0.2450000    
 C    1.512100      -1.474300     -0.6350000    
 C  -0.7081000      -1.432000       2.028800    
 C  -0.3465000      -2.891000       2.168100    
 C   -1.966700      0.5947000     -0.1950000    
 C   0.2311000       1.284700      0.6667000    
 C  -0.1782000       2.658700      0.2990000    
 C    2.516000      -1.408600      0.3324000    
 C    1.810300      -1.187600      -1.967900    
 C   -1.446300       2.856000     -0.2651000    
 C   -2.898800     -0.5204000     -0.4567000    
 C    3.815600      -1.056700     -3.2600001E-02
 C    3.109700     -0.8358000      -2.332800    
 C   0.6856000       3.736600      0.5196000    
 C    4.112400     -0.7706000      -1.365200    
 C   -1.835200       4.156500     -0.6059000    
 C   -2.860800      -1.179000      -1.681800    
 C   -3.808300     -0.9051000      0.5237000    
 C   0.2816000       5.025100      0.1739000    
 C  -0.9764000       5.235300     -0.3877000    
 C   -3.741100      -2.232400      -1.929300    
 C   -4.688400      -1.958500      0.2764000    
 C   -4.654700      -2.622200     -0.9502000    
 C    4.974800      0.2553000       1.576800    
 H  -0.5235000      -1.898000      -1.117100    
 H   0.4951000      -2.993400       2.857700    
 H   -1.208100      -3.450000       2.541200    
 H    2.309100      -1.620900       1.378200    
 H    1.039400      -1.232500      -2.732600    
 H    3.327200     -0.6149000      -3.374300    
 H    1.669500       3.592300      0.9569000    
 H   -2.813100       4.337700      -1.045800    
 H   -2.163100     -0.8742000      -2.457400    
 H   -3.843600     -0.3932000       1.481700    
 H   0.9477000       5.866200      0.3426000    
 H   -1.289600       6.240000     -0.6565000    
 H   -3.716800      -2.747100      -2.885300    
 H   -5.400000      -2.262000       1.038600    
 H   -5.340400      -3.442000      -1.142900    
 H    5.395500     -0.2643000      -2.692500    
 H    5.208500       1.041600      0.8520000    
 H    5.815500      0.1564000       2.268900    
 H    4.081100      0.5245000       2.148400    


%chk=000063657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063657

0 1
S 0.395798 -3.651312 1.545651
O -1.911071 -0.856927 3.236733
O 0.697674 0.810556 2.464263
O 4.550908 -0.104056 0.703504
O 4.825834 -0.181597 -2.142472
N -0.676232 -1.195575 1.270878
N -0.866911 0.130326 0.837107
N -1.784591 1.635430 -0.787265
C 0.046891 -2.142401 0.385344
C 1.295547 -1.599365 -0.265684
C -1.126500 -1.556498 2.548534
C -0.554225 -2.895599 2.990799
C -1.759536 0.437675 -0.223974
C -0.034462 1.125590 1.490669
C -0.123855 2.455841 0.869049
C 2.357103 -1.047930 0.492467
C 1.410601 -1.659533 -1.674714
C -0.960057 2.651651 -0.276646
C -2.693457 -0.611214 -0.719832
C 3.519914 -0.557341 -0.130979
C 2.573392 -1.179800 -2.313410
C 0.657054 3.525595 1.378713
C 3.632443 -0.636609 -1.553566
C -0.989933 3.929527 -0.901361
C -2.867344 -0.754507 -2.121155
C -3.468249 -1.404034 0.168312
C 0.614751 4.782216 0.752647
C -0.209363 4.980150 -0.392001
C -3.778348 -1.703507 -2.630510
C -4.385995 -2.344115 -0.347532
C -4.536323 -2.505597 -1.744859
C 5.110699 1.237779 0.434030
H -0.650124 -2.511233 -0.387423
H 0.130767 -2.724789 3.836882
H -1.369826 -3.565095 3.304047
H 2.295481 -0.982688 1.582875
H 0.595427 -2.081172 -2.274407
H 2.663786 -1.238572 -3.406160
H 1.281891 3.338973 2.258186
H -1.641007 4.061841 -1.770499
H -2.293922 -0.107119 -2.792413
H -3.389818 -1.252745 1.249947
H 1.212249 5.611885 1.144617
H -0.239404 5.963090 -0.874775
H -3.902950 -1.812692 -3.713367
H -4.991336 -2.942013 0.342187
H -5.246659 -3.240287 -2.139868
H 4.815206 -0.342335 -3.118748
H 5.577123 1.281259 -0.563761
H 5.864605 1.390056 1.220913
H 4.316954 2.005015 0.520824


