%chk=000095021.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095021

0 1
 Cl  3.4000000E-03   3.969000     -3.3000000E-03
 N    2.314400     -0.3874000     -0.2981000    
 N   -2.330100     -0.3828000      0.3009000    
 N  -4.1999999E-03 -0.4199000      1.0000000E-03
 N   -1.190500       1.660500      0.1510000    
 N    1.189400       1.655900     -0.1559000    
 C    3.569600      0.3466000     -0.4753000    
 C    2.350400      -1.828600     -0.3006000    
 C   -3.575500      0.3368000      0.4746000    
 C   -2.343100      -1.831300      0.3050000    
 C    1.110000      0.3155000     -0.1438000    
 C   -1.115700      0.3198000      0.1431000    
 C    4.174500      0.6002000      0.8680000    
 C    2.186200      -2.313300      -1.705200    
 C   -4.181600      0.5841000     -0.8693000    
 C   -2.171200      -2.311800       1.710100    
 C   3.9999999E-04   2.261200     -3.5999999E-03
 C    4.427800       1.820300       1.354700    
 C    1.188100      -3.107300      -2.109400    
 C   -4.441500       1.801800      -1.358900    
 C   -1.160600      -3.089400       2.115100    
 H    3.432000       1.267300      -1.055300    
 H    4.277300     -0.2575000      -1.057300    
 H    1.607300      -2.263400      0.3779000    
 H    3.319500      -2.186600      6.9700003E-02
 H   -3.445500       1.261500       1.050400    
 H   -4.282900     -0.2664000       1.057800    
 H   -1.596400      -2.256300     -0.3760000    
 H   -3.308900      -2.201000     -6.2899999E-02
 H    4.437800     -0.2624000       1.475100    
 H    2.933400      -2.012900      -2.435700    
 H   -4.441100     -0.2812000      -1.474500    
 H   -2.922700      -2.021400       2.440300    
 H    4.876200       1.938700       2.335000    
 H    4.193100       2.715900      0.7900000    
 H    1.127800      -3.431400      -3.142500    
 H   0.4205000      -3.447200      -1.423400    
 H   -4.890800       1.915400      -2.339300    
 H   -4.211400       2.700000     -0.7965000    
 H   -1.094900      -3.410700       3.148800    
 H  -0.3885000      -3.419000       1.429300    


%chk=000095021-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095021

0 1
Cl -0.009737 4.159033 -0.007421
N 2.335248 -0.303474 -0.338844
N -2.333525 -0.313263 0.338856
N 0.001024 -0.365134 -0.000013
N -1.200659 1.751343 0.181686
N 1.192594 1.756422 -0.189129
C 3.613144 0.441373 -0.487019
C 2.376843 -1.785383 -0.337646
C -3.614727 0.426377 0.483966
C -2.368325 -1.795354 0.342669
C 1.146922 0.364721 -0.172236
C -1.148396 0.359856 0.169322
C 4.353847 0.584943 0.832877
C 2.282043 -2.368647 -1.738215
C -4.353240 0.566170 -0.837604
C -2.275638 -2.373280 1.745589
C -0.005389 2.328995 -0.004658
C 4.634098 1.777623 1.411696
C 1.374060 -3.300550 -2.115493
C -4.635673 1.757215 -1.418703
C -1.363859 -3.298768 2.129481
H 3.383119 1.435499 -0.898793
H 4.234879 -0.109540 -1.220438
H 1.548830 -2.158519 0.285605
H 3.332018 -2.088047 0.135525
H -3.390103 1.421664 0.895924
H -4.235696 -0.126977 1.216151
H -1.536243 -2.166404 -0.276344
H -3.320368 -2.104224 -0.132864
H 4.666941 -0.347689 1.327096
H 3.012353 -1.992838 -2.470892
H -4.662467 -0.368139 -1.331115
H -3.010744 -1.999090 2.474293
H 5.173975 1.841794 2.363444
H 4.317308 2.721970 0.953456
H 1.350939 -3.703074 -3.134322
H 0.624119 -3.686405 -1.413420
H -5.173687 1.818474 -2.371698
H -4.322410 2.703062 -0.961152
H -1.342257 -3.697557 3.149815
H -0.609165 -3.682879 1.431565


