%chk=000050564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050564

0 1
 S  -0.8378000       2.096900      0.1082000    
 O  -1.3300000E-02  -1.277700       1.443100    
 O    5.951200      0.2142000      8.1699997E-02
 N   -1.755700     -0.3397000     -0.4804000    
 N   -3.883400      -1.030300      0.1553000    
 N   -2.381600      -2.645700     -0.3786000    
 N   -3.253400       1.500100     -0.5045000    
 N   -3.250000       2.866500     -0.2846000    
 C   -2.626000      -1.363200     -0.2509000    
 C   -4.674000      -2.206000      0.3570000    
 C   -3.668700      -3.306700     -4.9000001E-03
 C  -0.3822000     -0.6945000     -0.8637000    
 C   -2.065400       1.004800     -0.3297000    
 C   0.4636000     -0.8881000      0.3793000    
 C    1.925200     -0.5953000      0.3008000    
 C    2.569000     -0.7749000     -0.9021000    
 C    2.572100     -0.1568000       1.433500    
 C   -2.053200       3.305500      4.2199999E-02
 C    3.934800     -0.5010000     -0.9762000    
 C    3.937700      0.1173000       1.359300    
 C    4.619100     -5.4900002E-02  0.1544000    
 C   -1.713100       4.710700      0.3422000    
 C    6.585300      1.8700000E-02  -1.181400    
 H   -5.544200      -2.222600     -0.3054000    
 H   -5.006700      -2.291700       1.395500    
 H   -3.500200      -3.978200      0.8437000    
 H   -4.029000      -3.904800     -0.8486000    
 H  -0.3613000      -1.631800      -1.433800    
 H   4.5699999E-02  6.2600002E-02  -1.531100    
 H   -4.237700     -9.9299997E-02  0.3335000    
 H    2.063300      -1.138500      -1.790600    
 H    2.052500     -1.3100000E-02   2.375900    
 H    4.402900     -0.6599000      -1.941700    
 H    4.465100      0.4661000       2.242900    
 H   -1.329000       4.812900       1.362200    
 H  -0.9594000       5.090100     -0.3551000    
 H   -2.599300       5.347600      0.2543000    
 H    7.641000      0.2813000      -1.057200    
 H    6.176800      0.6893000      -1.945000    
 H    6.551400      -1.031600      -1.490200    


%chk=000050564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050564

0 1
S -1.203880 2.726654 -0.330567
O 0.063764 0.089814 1.707664
O 6.240308 -0.613989 0.056841
N -1.763457 -0.031809 -0.376464
N -3.890139 -1.136196 0.096239
N -2.058092 -2.400398 -0.530465
N -3.508576 1.505113 0.280639
N -3.761442 2.873491 0.435276
C -2.561482 -1.204838 -0.266974
C -4.434172 -2.507167 0.167191
C -3.196875 -3.359284 -0.331180
C -0.341549 -0.247853 -0.680243
C -2.250032 1.232826 -0.109810
C 0.565348 -0.120753 0.566899
C 2.034564 -0.264241 0.361431
C 2.612694 -0.582406 -0.895897
C 2.898968 -0.078477 1.480942
C -2.726327 3.656882 0.175186
C 4.007920 -0.711631 -1.045559
C 4.286375 -0.200101 1.348237
C 4.848879 -0.516986 0.081302
C -2.726945 5.149849 0.279087
C 6.886797 -0.942910 -1.219405
H -5.317942 -2.626104 -0.486644
H -4.729802 -2.767515 1.201914
H -2.907954 -4.130582 0.404731
H -3.415838 -3.872281 -1.286271
H -0.278186 -1.284172 -1.068788
H -0.011879 0.451077 -1.472569
H -4.332310 -0.244493 0.358833
H 1.979204 -0.745408 -1.774174
H 2.444084 0.161026 2.447543
H 4.425474 -0.962416 -2.024824
H 4.960217 -0.058662 2.198295
H -1.989473 5.504420 1.021819
H -2.488076 5.627274 -0.688490
H -3.729837 5.479021 0.595785
H 7.963107 -0.962307 -0.996670
H 6.676158 -0.171211 -1.984241
H 6.562504 -1.934955 -1.587320


