%chk=000157368.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157368

0 1
 O   -5.823600      0.8796000     -0.3632000    
 N  -0.3316000      0.5683000      0.1655000    
 N   0.8707000      -3.029200      0.3002000    
 N    4.030900       2.368800      -1.044700    
 C    1.144300      -1.582900      2.3000001E-03
 C  -0.1508000     -0.7923000      3.9099999E-02
 C   -1.398100      -1.374700     -9.5399998E-02
 C   0.6520000       1.617200      0.4965000    
 C    2.182900     -0.9791000      0.9611000    
 C   -1.577800      -2.846500     -0.1824000    
 C  -0.2525000      -3.539000     -0.5266000    
 C   -1.694100      0.8591000      2.8100001E-02
 C   -2.374600     -0.3519000     -0.1198000    
 C    2.812700      0.2269000      0.3080000    
 C    2.071500       1.382300      3.4600001E-02
 C   0.6065000       1.982100       1.987300    
 C    2.045100      -3.874500      3.9700001E-02
 C   -3.779300     -0.3446000     -0.2501000    
 C   -2.387500       2.084400      4.6999998E-02
 C    4.151700      0.1565000     -0.1023000    
 C    2.742500       2.411100     -0.6362000    
 C   -4.467600      0.8709000     -0.2352000    
 C   -3.778600       2.068700     -8.9199997E-02
 C    4.705200       1.238500     -0.7642000    
 H    1.515700      -1.524000      -1.032600    
 H   0.2970000       2.494200     -6.1099999E-02
 H    2.985400      -1.683600       1.197400    
 H    1.745600     -0.7186000       1.930400    
 H   -1.944800      -3.214300      0.7839000    
 H   -2.329000      -3.099700     -0.9390000    
 H  -0.3905000      -4.614900     -0.3604000    
 H  -2.7799999E-02  -3.404200      -1.593900    
 H    1.289200       2.810300       2.209000    
 H  -0.3987000       2.294200       2.290200    
 H   0.8857000       1.142900       2.630500    
 H    2.862000      -3.667100      0.7353000    
 H    2.417200      -3.758100     -0.9845000    
 H    1.799200      -4.932000      0.1937000    
 H   -4.317400      -1.282200     -0.3630000    
 H   -1.870000       3.030400      0.1689000    
 H    4.751400     -0.7302000      7.7799998E-02
 H    2.241200       3.347900     -0.8651000    
 H   -4.321700       3.010700     -7.5999998E-02
 H    5.736900       1.217400      -1.099000    
 H   -6.138000     -3.6300000E-02 -0.4543000    


%chk=000157368-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157368

0 1
O -5.902687 0.993151 -0.232413
N -0.316291 0.568030 0.052024
N 0.875861 -3.049396 0.238168
N 4.127284 2.405668 -0.986910
C 1.138738 -1.599126 -0.036504
C -0.173356 -0.840469 -0.006091
C -1.431533 -1.435711 -0.094988
C 0.657079 1.637835 0.393075
C 2.170107 -0.994535 0.968620
C -1.604011 -2.927672 -0.161294
C -0.266646 -3.571117 -0.572131
C -1.699342 0.857861 0.001748
C -2.417476 -0.382812 -0.092852
C 2.840221 0.220294 0.353859
C 2.106077 1.385326 -0.008580
C 0.575221 2.013397 1.904665
C 2.074249 -3.886044 -0.008794
C -3.835279 -0.371787 -0.175831
C -2.373675 2.099377 0.029823
C 4.217916 0.188490 0.027537
C 2.798899 2.427033 -0.675621
C -4.495927 0.872166 -0.155217
C -3.778434 2.098076 -0.053409
C 4.820135 1.286993 -0.623397
H 1.587721 -1.497803 -1.063479
H 0.323020 2.524454 -0.181032
H 2.941492 -1.741980 1.211699
H 1.642175 -0.757721 1.909209
H -1.920160 -3.328608 0.822467
H -2.384284 -3.212485 -0.895036
H -0.312155 -4.664368 -0.417698
H -0.091967 -3.393190 -1.664898
H 1.196339 2.904396 2.104579
H -0.467093 2.237216 2.189320
H 0.937767 1.191555 2.544649
H 2.898412 -3.622479 0.673969
H 2.454429 -3.807257 -1.059179
H 1.817672 -4.941749 0.184494
H -4.399107 -1.310532 -0.252977
H -1.840480 3.052617 0.108566
H 4.819724 -0.691676 0.279681
H 2.260348 3.334640 -0.978161
H -4.347199 3.032194 -0.041905
H 5.887066 1.280173 -0.873066
H -6.322349 0.100077 -0.298388


