%chk=000162468.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162468

0 1
 O    4.111300      -1.408000      0.5560000    
 N   -2.339100      -1.102800     -0.2149000    
 N    3.019000      0.5094000     -0.2028000    
 C  -0.9883000     -0.6966000     -0.2125000    
 C    1.660700      0.1009000     -0.2051000    
 C   6.8999999E-03  -1.586300      0.1921000    
 C  -0.6478000      0.5953000     -0.6136000    
 C   -3.546200     -0.4017000     -2.8600000E-02
 C    1.342600      -1.184200      0.1959000    
 C   0.6879000      0.9973000     -0.6099000    
 C   -4.712500     -0.8367000     -0.6607000    
 C   -3.579400      0.7299000      0.7881000    
 C    4.126700     -0.2431000      0.1656000    
 C   -5.908100     -0.1421000     -0.4765000    
 C   -4.775000       1.424300      0.9725000    
 C   -5.939500      0.9883000      0.3403000    
 C    5.434500      0.5002000      4.9800001E-02
 C    5.495900       1.920900     -0.4254000    
 C    6.550500     -0.1649000      0.3895000    
 H   -2.465500      -2.096600     -0.3857000    
 H  -0.2478000      -2.595100      0.5077000    
 H   -1.399100       1.302100     -0.9547000    
 H    2.047100      -1.933200      0.5233000    
 H   0.9434000       2.003900     -0.9289000    
 H    3.159000       1.467000     -0.5115000    
 H   -4.701200      -1.715600      -1.300300    
 H   -2.693400       1.079800       1.310900    
 H   -6.814800     -0.4815000     -0.9687000    
 H   -4.800800       2.301600       1.612400    
 H   -6.870700       1.528200      0.4848000    
 H    5.097900       2.006800      -1.441800    
 H    4.925100       2.576700      0.2402000    
 H    6.523500       2.300700     -0.4485000    
 H    7.523600      0.3127000      0.3282000    
 H    6.543100      -1.192600      0.7364000    


%chk=000162468-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162468

0 1
O 4.213884 -1.512044 0.431235
N -2.387969 -1.127409 -0.197581
N 3.082275 0.461989 -0.139417
C -1.041276 -0.698549 -0.154221
C 1.728209 0.024263 -0.134025
C -0.029195 -1.653000 0.145503
C -0.638170 0.632200 -0.457663
C -3.573221 -0.371071 -0.053091
C 1.334842 -1.311779 0.150902
C 0.723171 0.981004 -0.439714
C -4.787475 -0.915270 -0.563162
C -3.616905 0.878637 0.628132
C 4.237732 -0.276881 0.126008
C -6.006592 -0.227588 -0.401020
C -4.842398 1.562437 0.772712
C -6.045130 1.022944 0.260245
C 5.528225 0.510718 0.021652
C 5.506991 1.984384 -0.355311
C 6.685149 -0.157880 0.277317
H -2.522976 -2.127489 -0.355257
H -0.318291 -2.683680 0.386835
H -1.380597 1.381650 -0.743598
H 2.101060 -2.053316 0.382511
H 1.008319 2.013147 -0.683990
H 3.214461 1.448341 -0.371893
H -4.766486 -1.875611 -1.094214
H -2.709207 1.291660 1.076698
H -6.928071 -0.666014 -0.800701
H -4.857300 2.519837 1.306379
H -6.991507 1.560481 0.378835
H 5.060401 2.150958 -1.356068
H 4.943168 2.593035 0.379829
H 6.532420 2.387821 -0.388944
H 7.661183 0.336275 0.223408
H 6.650776 -1.219201 0.545270


