%chk=000047903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047903

0 1
 Cl   6.366600      -1.100700      0.6310000    
 S  -0.6523000     -0.9745000      -1.292900    
 N    1.857400       1.510200      0.4179000    
 N   -3.185100      -3.329800      0.8349000    
 N   -3.647000      -1.808900     -0.8155000    
 N   -4.352900      -2.897300      0.9475000    
 N   -4.636800      -1.962200     -6.7100003E-02
 C    1.990400     -0.5673000     -0.3842000    
 C   0.6135000       1.195600     -5.9400000E-02
 C   0.6640000     -8.3999999E-02 -0.5625000    
 C    2.718600      0.4522000      0.2329000    
 C  -0.4763000       2.142700      1.6600000E-02
 C    2.643600      -1.777900     -0.6896000    
 C    4.072600      0.3210000      0.5612000    
 C   -1.403900      -1.823500      0.1334000    
 C    3.997800      -1.923400     -0.3669000    
 C    4.699400     -0.8888000      0.2488000    
 C   -2.586900      -2.663500     -0.3093000    
 C   -1.304400       2.159000       1.137000    
 C  -0.6957000       3.034900      -1.030800    
 C   -2.356500       3.072000       1.210600    
 C   -1.747900       3.947800     -0.9572000    
 C   -2.578300       3.966700      0.1635000    
 H    2.112800       2.390100      0.8454000    
 H    2.114700      -2.596800      -1.169000    
 H    4.608900       1.134000       1.040600    
 H  -0.6473000      -2.458600      0.6073000    
 H   -1.711400      -1.072000      0.8694000    
 H    4.493500      -2.861400     -0.6065000    
 H   -2.299700      -3.407300      -1.061100    
 H   -1.145000       1.467900       1.961300    
 H  -5.7500001E-02   3.032700      -1.911200    
 H   -3.003300       3.086100       2.083000    
 H   -1.920800       4.644100      -1.772700    
 H   -3.397500       4.677500      0.2207000    


%chk=000047903-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047903

0 1
Cl 5.619774 -2.239390 0.991048
S -0.911870 -0.357016 -2.008610
N 1.593559 1.241640 0.745528
N -2.532417 -2.843326 1.038570
N -1.472449 -3.595046 -0.985738
N -2.976378 -3.991276 0.997059
N -2.085019 -4.623822 -0.698521
C 1.570020 -0.629737 -0.559028
C 0.409219 1.298247 -0.015584
C 0.374558 0.144968 -0.828160
C 2.323085 0.091946 0.430956
C -0.527893 2.422205 0.160232
C 2.074244 -1.859474 -1.057117
C 3.563993 -0.366365 0.924482
C -2.158519 -1.156982 -0.815163
C 3.307402 -2.336191 -0.574303
C 4.022315 -1.584703 0.397577
C -1.595016 -2.388223 -0.091342
C -0.649736 3.062763 1.427659
C -1.312616 2.905629 -0.923941
C -1.523579 4.155952 1.602861
C -2.190289 3.994412 -0.742584
C -2.298807 4.627425 0.518104
H 1.911372 1.994230 1.354318
H 1.514626 -2.421857 -1.811794
H 4.142195 0.181224 1.673902
H -2.439340 -0.400358 -0.066907
H -3.035397 -1.416133 -1.431107
H 3.724430 -3.278595 -0.939806
H -0.607008 -2.167733 0.355970
H -0.092554 2.680519 2.292023
H -1.222491 2.430129 -1.904402
H -1.609408 4.630630 2.586363
H -2.783413 4.356067 -1.589525
H -2.979290 5.474841 0.654081


