%chk=000053016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053016

1 1
 Cl  -5.168600      -1.208500      -1.317600    
 N   0.8430000      0.8199000      0.6137000    
 N    2.232300       1.595700     -0.8525000    
 C    1.732700     -0.2013000      0.3509000    
 C    1.156100       1.894400     -0.1178000    
 C  -0.2687000      0.7475000       1.544500    
 C    2.629700      0.2996000     -0.5958000    
 C   -1.497100      0.2572000      0.8281000    
 C    1.822200      -1.493700      0.8545000    
 C   0.4479000       3.199100     -0.1263000    
 C    3.678600     -0.4571000      -1.104800    
 C    2.875900      -2.269400      0.3503000    
 C    3.781800      -1.763500     -0.6061000    
 C   -1.757900      -1.105200      0.7697000    
 C   -2.354400       1.173700      0.2333000    
 C   -2.896400      -1.559900      0.1043000    
 C   -3.493000      0.7192000     -0.4321000    
 C   -3.764200     -0.6477000     -0.4964000    
 H  -0.4471000       1.722000       2.009000    
 H  -1.2500000E-02  7.9599999E-02   2.375700    
 H    2.689700       2.228100      -1.503800    
 H    1.142100      -1.879600       1.601500    
 H    1.161100       3.947200     -0.4792000    
 H  -0.3828000       3.115400     -0.8260000    
 H   0.1246000       3.447400      0.8828000    
 H    4.367000     -5.7000000E-02  -1.838000    
 H    3.002300      -3.288600      0.7090000    
 H    4.583200      -2.405600     -0.9648000    
 H   -1.106100      -1.829600       1.245600    
 H   -2.175000       2.241400      0.2974000    
 H   -3.097100      -2.627500      6.5300003E-02
 H   -4.163400       1.441800     -0.8904000    


%chk=000053016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053016

1 1
Cl -5.641863 -0.634642 -1.250662
N 0.891089 0.689752 0.553748
N 2.261998 1.363064 -1.049454
C 1.924867 -0.281646 0.465371
C 1.114017 1.672394 -0.371825
C -0.278913 0.631847 1.479954
C 2.807464 0.154522 -0.565084
C -1.594595 0.328924 0.771985
C 2.161298 -1.474469 1.178035
C 0.265165 2.874800 -0.604957
C 3.957150 -0.574195 -0.924541
C 3.312546 -2.205982 0.821346
C 4.193685 -1.765365 -0.209072
C -1.723344 -0.804139 -0.072146
C -2.720475 1.159510 0.991752
C -2.953770 -1.100264 -0.694243
C -3.961632 0.870547 0.381961
C -4.060351 -0.256335 -0.458261
H -0.340036 1.592182 2.021229
H -0.037945 -0.142297 2.228437
H 2.654747 1.937018 -1.796886
H 1.497212 -1.829469 1.970936
H 0.653171 3.475435 -1.442475
H -0.774269 2.582576 -0.836800
H 0.235254 3.521993 0.290925
H 4.636417 -0.241202 -1.714310
H 3.536233 -3.137584 1.349351
H 5.074741 -2.367418 -0.449515
H -0.869477 -1.469640 -0.247469
H -2.644782 2.031992 1.652282
H -3.056945 -1.974809 -1.342763
H -4.832756 1.507898 0.557150


