%chk=000112530.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112530

0 1
 Cl  -2.917000      -2.438700      0.6457000    
 N    5.080000     -7.2999999E-02 -0.1748000    
 C    3.682800      2.8300000E-02 -1.0800000E-02
 C   0.9191000      0.2314000      0.3123000    
 C    2.827800     -0.6707000     -0.8629000    
 C    3.155900      0.8289000       1.002700    
 C    1.446100     -0.5690000     -0.7015000    
 C    1.774200      0.9304000       1.164400    
 C  -0.5216000      0.3366000      0.4804000    
 C    5.649700     -0.3087000      -1.486500    
 C    5.965000      7.1199998E-02  0.9640000    
 C   -2.902200      0.1317000     -0.2917000    
 C   -1.441900      4.3400001E-02 -0.4686000    
 C   -3.641700     -0.9328000      0.2017000    
 C   -3.512800       1.328400     -0.6393000    
 C   -5.022100     -0.7988000      0.3506000    
 C   -4.893300       1.462600     -0.4903000    
 C   -5.647900      0.3989000      4.4999998E-03
 H    3.206200      -1.315200      -1.651300    
 H    3.793100       1.396200       1.675200    
 H   0.8206000      -1.150000      -1.372900    
 H    1.381400       1.562100       1.957500    
 H  -0.8666000      0.6778000       1.454500    
 H    5.576900      -1.367400      -1.756800    
 H    6.710500     -3.5200000E-02  -1.511900    
 H    5.151200      0.2933000      -2.254600    
 H    6.952500     -0.3544000      0.7530000    
 H    5.577200     -0.4556000       1.843300    
 H    6.108400       1.127900       1.212800    
 H   -1.153500     -0.2752000      -1.466500    
 H   -2.938900       2.166300      -1.027000    
 H   -5.625300      -1.617500      0.7349000    
 H   -5.380700       2.395000     -0.7597000    
 H   -6.722700      0.5034000      0.1203000    


%chk=000112530-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112530

0 1
Cl -3.348674 -2.285674 -1.770294
N 5.186595 -0.074656 -0.159122
C 3.800420 0.069429 -0.059712
C 0.924073 0.361390 0.137368
C 2.907803 -0.833823 -0.728794
C 3.212288 1.122241 0.712574
C 1.518281 -0.686203 -0.628803
C 1.817656 1.252835 0.800025
C -0.520313 0.558467 0.271588
C 5.760130 -1.171794 -0.949351
C 6.074349 0.870460 0.529517
C -2.957031 0.015017 -0.156174
C -1.513038 -0.199589 -0.301530
C -3.912470 -0.849394 -0.768099
C -3.511346 1.097422 0.600050
C -5.303555 -0.676548 -0.654532
C -4.897579 1.292032 0.729857
C -5.805821 0.404937 0.102228
H 3.307133 -1.655075 -1.330722
H 3.844958 1.837314 1.245732
H 0.879991 -1.402064 -1.158793
H 1.400372 2.071643 1.400713
H -0.804361 1.411190 0.906153
H 5.442178 -2.163471 -0.568260
H 6.859184 -1.126315 -0.895747
H 5.468499 -1.107450 -2.017486
H 7.123180 0.609386 0.318343
H 5.931029 0.845116 1.629246
H 5.907830 1.912423 0.188248
H -1.230842 -1.051858 -0.929979
H -2.827838 1.797557 1.091527
H -5.981098 -1.377357 -1.150625
H -5.274551 2.135283 1.318827
H -6.887031 0.548731 0.196726


