%chk=000050365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050365

0 1
 O    4.586000       1.911300     -0.7740000    
 N    4.398100     -0.2965000      3.8300000E-02
 N   -1.156700     -0.4038000      0.5963000    
 N   -1.702000     -0.1639000     -0.5064000    
 C    3.010200     -0.3232000      0.1788000    
 C    2.319100      0.8439000      0.5044000    
 C    2.313400      -1.517200     -7.6000001E-03
 C   0.2416000     -0.3766000      0.4570000    
 C   0.9315000      0.8172000      0.6439000    
 C   0.9257000      -1.544000      0.1319000    
 C    5.179400      -1.501200      0.4580000    
 C    5.122500      0.8634000     -0.4053000    
 C   -5.173300      0.9474000      9.6299998E-02
 C   -3.093500     -0.1915000     -0.3672000    
 C   -3.785500      0.9753000     -4.2199999E-02
 C   -5.869000     -0.2472000     -9.0300001E-02
 C   -3.789400      -1.386100     -0.5536000    
 C   -5.177100      -1.413800     -0.4153000    
 C    6.633100      0.8120000     -0.3865000    
 C   -5.914000       2.194600      0.4432000    
 H    2.819300       1.783600      0.7144000    
 H    2.818500      -2.438800     -0.2836000    
 H   0.4016000       1.727900      0.9103000    
 H   0.3898000      -2.477300     -1.9200001E-02
 H    5.387200      -2.099300     -0.4340000    
 H    4.619700      -2.090400       1.191100    
 H    6.121200      -1.215500      0.9303000    
 H   -3.241200       1.906200      0.1002000    
 H   -6.950300     -0.2815000      1.2700000E-02
 H   -3.259300      -2.300300     -0.8078000    
 H   -5.718800      -2.343800     -0.5612000    
 H    6.995900     -7.4900001E-02 -0.9121000    
 H    6.993400      0.8222000      0.6453000    
 H    7.033300       1.691700     -0.9003000    
 H   -5.306000       2.851700       1.074400    
 H   -6.185700       2.735900     -0.4684000    
 H   -6.828200       1.969600       1.003000    


%chk=000050365-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050365

0 1
O 5.054926 2.065465 -0.264277
N 4.560694 -0.206123 0.118382
N -1.135222 0.315944 0.137691
N -1.848931 -0.755956 -0.108468
C 3.128916 -0.060278 0.099143
C 2.479919 1.173595 0.395040
C 2.321363 -1.200770 -0.203733
C 0.277271 0.109493 0.103077
C 1.076383 1.245130 0.395193
C 0.922240 -1.121349 -0.202929
C 5.093770 -1.578396 0.295133
C 5.450315 0.873584 -0.104895
C -5.307202 0.803912 0.186810
C -3.266685 -0.547581 -0.079975
C -3.901159 0.700640 0.182735
C -6.080146 -0.364804 -0.074847
C -4.049434 -1.701789 -0.339422
C -5.456844 -1.604834 -0.335534
C 6.944898 0.550006 -0.156279
C -5.996262 2.130853 0.457735
H 3.075192 2.060804 0.603776
H 2.788515 -2.154170 -0.466582
H 0.569501 2.187484 0.627519
H 0.306152 -1.993148 -0.442857
H 5.118196 -2.142879 -0.656957
H 4.466375 -2.126611 1.016460
H 6.112732 -1.540758 0.701967
H -3.268875 1.572600 0.379460
H -7.175247 -0.295285 -0.072588
H -3.535161 -2.647796 -0.537605
H -6.067084 -2.492652 -0.534246
H 7.185740 -0.256207 -0.871358
H 7.336863 0.258540 0.836271
H 7.457056 1.471078 -0.470323
H -5.268204 2.917962 0.716688
H -6.563341 2.474848 -0.428070
H -6.716721 2.046549 1.292668


