%chk=000048387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048387

0 1
 O  -0.7844000      0.4973000      0.5775000    
 O   0.4029000       1.887800     -0.8211000    
 N   -4.464200       1.047600      0.7878000    
 C   -3.141500      0.4167000      0.9119000    
 C   -3.237900      -1.093700      0.6260000    
 C   -3.560800      -1.522800     -0.8013000    
 C   -4.864800     -0.9578000      -1.357400    
 C   -4.872700       1.497800     -0.5451000    
 C   -4.746800      0.5178000      -1.716300    
 C   -1.992000       1.098600      0.1632000    
 C   -4.630900       2.139600       1.752300    
 C    1.592500      0.2849000      0.5900000    
 C   0.3696000      0.9849000      5.4000001E-03
 C    1.579100      -1.227800      0.4140000    
 C    2.907500      0.9008000      0.1292000    
 C    2.207500      -2.013500       1.357800    
 C    3.502800      0.4180000      -1.017400    
 C   0.9386000      -1.765100     -0.6832000    
 C    3.460900       1.922200      0.8728000    
 C    2.195100      -3.399100       1.196900    
 C    4.706600      0.9819000      -1.439600    
 C   0.9262000      -3.150600     -0.8440000    
 C    4.664700       2.486200      0.4504000    
 C    1.554500      -3.967600      9.6100003E-02
 C    5.287500       2.016000     -0.7058000    
 H   -2.864000      0.4415000       1.977100    
 H   -3.998200      -1.525100       1.292500    
 H   -2.296100      -1.576100      0.9192000    
 H   -3.632600      -2.617900     -0.8113000    
 H   -2.725600      -1.271700      -1.466000    
 H   -5.098800      -1.509700      -2.276600    
 H   -5.698400      -1.133100     -0.6676000    
 H   -4.347300       2.422200     -0.8208000    
 H   -5.935600       1.769100     -0.4831000    
 H   -3.807400      0.6919000      -2.253300    
 H   -5.540100      0.7605000      -2.435800    
 H   -2.089600       1.000300     -0.9208000    
 H   -1.960300       2.165000      0.4156000    
 H   -5.654500       2.530300       1.723300    
 H   -3.941500       2.969300       1.561200    
 H   -4.470200       1.783600       2.776000    
 H    1.511600      0.4727000       1.672900    
 H    2.709200      -1.579200       2.217200    
 H    3.071000     -0.3668000      -1.627400    
 H   0.4549000      -1.153100      -1.437800    
 H    2.982200       2.296900       1.772400    
 H    2.684600      -4.035200       1.928500    
 H    5.189200      0.6200000      -2.342900    
 H   0.4299000      -3.593300      -1.702600    
 H    5.116600       3.292200       1.021100    
 H    1.545500      -5.046300     -2.9700000E-02
 H    6.224100       2.456200      -1.035300    


%chk=000048387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048387

0 1
O -0.787419 0.427461 0.414326
O 0.248503 0.413809 -1.669649
N -4.325956 1.744806 0.531916
C -3.138144 0.913324 0.866240
C -3.522516 -0.513049 1.340404
C -4.159875 -1.465169 0.304622
C -5.429491 -0.915607 -0.389660
C -4.974084 1.636428 -0.799640
C -5.119292 0.216266 -1.398431
C -2.041468 0.938820 -0.225975
C -4.214116 3.156255 0.947284
C 1.493023 -0.329556 0.358890
C 0.292950 0.198367 -0.436023
C 1.890254 -1.754408 -0.068081
C 2.661326 0.671231 0.266641
C 2.379276 -2.639377 0.926846
C 3.372456 0.870076 -0.943196
C 1.822748 -2.205262 -1.410903
C 3.029778 1.417889 1.412834
C 2.798053 -3.945275 0.590953
C 4.435645 1.797087 -1.000377
C 2.238378 -3.514024 -1.746176
C 4.096448 2.344152 1.357262
C 2.729267 -4.388315 -0.750279
C 4.803478 2.536012 0.148881
H -2.679370 1.400877 1.750136
H -4.230175 -0.376133 2.180974
H -2.610943 -0.990047 1.752880
H -4.409008 -2.410976 0.826481
H -3.417808 -1.736332 -0.475113
H -5.921796 -1.747399 -0.931858
H -6.148382 -0.555246 0.372269
H -4.460861 2.279159 -1.562145
H -5.989022 2.068605 -0.675762
H -4.208158 -0.061111 -1.965209
H -5.928830 0.277833 -2.152258
H -2.264932 0.301639 -1.097911
H -1.848627 1.968509 -0.581170
H -5.207875 3.638027 0.880075
H -3.510324 3.764630 0.323415
H -3.880415 3.217850 1.998213
H 1.169553 -0.368631 1.413049
H 2.438029 -2.301155 1.968871
H 3.091991 0.304833 -1.837504
H 1.432108 -1.538779 -2.187123
H 2.480014 1.275419 2.351611
H 3.173605 -4.615205 1.372729
H 4.978446 1.943266 -1.941092
H 2.176882 -3.850153 -2.787546
H 4.373010 2.912363 2.252597
H 3.051088 -5.402137 -1.013596
H 5.631176 3.252653 0.102376


