%chk=000121371.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121371

0 1
 O   0.2931000      0.3463000      -2.180000    
 O  -0.6372000      0.6054000       2.515500    
 O   -1.736200       4.017100     -0.3376000    
 N  -0.7518000       2.148700      -1.235400    
 N   -1.209100       2.274100       1.059200    
 N    3.901100     -0.8638000     -0.1172000    
 C  -0.3121000      0.1521000      0.1580000    
 C    1.074100     -0.4317000      0.4652000    
 C    2.119500      0.6717000      0.5727000    
 C   -1.293900     -0.9781000      2.5200000E-02
 C  -0.2108000      0.8764000      -1.187500    
 C  -0.7155000       1.016400       1.355800    
 C    3.489400      8.5600004E-02  0.9101000    
 C   -2.609700     -0.7056000     -0.3275000    
 C  -0.8744000      -2.282200      0.2561000    
 C   -1.270800       2.886500     -0.1830000    
 C   -3.521100      -1.754400     -0.4510000    
 C   -1.785800      -3.330900      0.1324000    
 C    5.198300      -1.454300      0.2168000    
 C    3.961900     -0.2124000      -1.426700    
 C   -3.109200      -3.066900     -0.2212000    
 H    1.087500     -0.9728000       1.422000    
 H    1.384200      -1.125600     -0.3266000    
 H    2.167200       1.303600     -0.3193000    
 H    1.859400       1.354100       1.391700    
 H    4.215800      0.9019000       1.016800    
 H    3.429400     -0.4188000       1.882900    
 H  -0.7404000       2.607600      -2.142100    
 H   -1.535300       2.825900       1.847800    
 H   -2.954400      0.3080000     -0.5081000    
 H   0.1256000      -2.584200      0.5398000    
 H   -4.551700      -1.549000     -0.7253000    
 H   -1.467200      -4.353600      0.3126000    
 H    5.994600     -0.7027000      0.2658000    
 H    5.149300      -1.968900       1.183000    
 H    5.480700      -2.209700     -0.5249000    
 H    2.971900      2.8300000E-02  -1.821900    
 H    4.573300      0.6974000      -1.412100    
 H    4.400500     -0.8927000      -2.167200    
 H   -3.818900      -3.883400     -0.3168000    


%chk=000121371-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121371

0 1
O 0.384913 0.364973 -2.184808
O -0.608201 0.748402 2.553518
O -2.079604 3.920820 -0.502777
N -0.918134 2.063278 -1.319853
N -1.360972 2.272569 0.992010
N 4.049292 -0.814166 -0.100526
C -0.262437 0.148322 0.186780
C 1.166919 -0.367715 0.525180
C 2.215985 0.754977 0.664871
C -1.310395 -1.002218 0.048583
C -0.216705 0.847238 -1.193048
C -0.737977 1.056516 1.343453
C 3.631750 0.185887 0.910873
C -2.687589 -0.685086 -0.088906
C -0.918752 -2.362000 0.031374
C -1.500869 2.826100 -0.292919
C -3.651846 -1.704200 -0.235256
C -1.885254 -3.382364 -0.115229
C 5.283355 -1.517370 0.303416
C 4.146440 -0.260870 -1.468079
C -3.253909 -3.060266 -0.249489
H 1.108724 -0.935622 1.471304
H 1.499562 -1.054243 -0.270347
H 2.224826 1.389740 -0.243076
H 1.967960 1.415259 1.519115
H 4.355650 1.042148 0.966977
H 3.649370 -0.315376 1.898597
H -0.961724 2.476817 -2.257395
H -1.729894 2.841712 1.761540
H -3.023645 0.358604 -0.077783
H 0.133893 -2.637134 0.131115
H -4.709990 -1.439543 -0.337310
H -1.565025 -4.430062 -0.125255
H 6.176347 -0.844521 0.375547
H 5.135842 -1.993003 1.289865
H 5.515386 -2.311369 -0.428865
H 3.159418 0.088516 -1.816936
H 4.870745 0.590447 -1.545602
H 4.478091 -1.055770 -2.159377
H -4.000247 -3.854027 -0.363286


