%chk=000048101.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048101

0 1
 O   -1.506800      0.7847000      0.4517000    
 O    5.166800      0.7536000      0.6688000    
 N    3.198000     -0.2829000     -4.1000000E-03
 C    1.925300     -0.1935000     -0.7152000    
 C   0.8231000      0.2759000      0.2289000    
 C    3.477800      -1.572700      0.6140000    
 C  -0.5221000      0.3579000     -0.4797000    
 C    4.084400      0.7917000      7.7699997E-02
 C    4.217800      -2.491300     -0.3434000    
 C    3.665800       2.067500     -0.6093000    
 C   -2.790000      0.3536000      0.2362000    
 C   -3.224400      0.1080000      -1.061100    
 C   -3.643200      0.1674000       1.317700    
 C   -4.530500     -0.3300000      -1.280100    
 C   -4.949300     -0.2706000       1.098500    
 C   -5.392900     -0.5193000     -0.2005000    
 H    2.006700      0.4874000      -1.566900    
 H    1.682400      -1.178200      -1.131700    
 H   0.7355000     -0.4087000       1.082600    
 H    1.061000       1.249200      0.6726000    
 H    4.104300      -1.407000       1.497600    
 H    2.544200      -2.032700      0.9545000    
 H  -0.7492000     -0.6381000     -0.8822000    
 H  -0.4688000       1.080600      -1.302100    
 H    3.622800      -2.693100      -1.239800    
 H    5.164300      -2.044700     -0.6657000    
 H    4.438700      -3.447100      0.1416000    
 H    4.396800       2.850700     -0.3825000    
 H    3.655000       1.926100      -1.693100    
 H    2.694100       2.415400     -0.2573000    
 H   -2.594700      0.2702000      -1.930400    
 H   -3.301600      0.3600000       2.330700    
 H   -4.878600     -0.5175000      -2.291800    
 H   -5.621100     -0.4177000       1.939200    
 H   -6.410300     -0.8587000     -0.3711000    


%chk=000048101-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048101

0 1
O -1.568273 0.047558 0.671371
O 5.252855 0.839531 0.610936
N 3.304452 -0.249824 -0.032379
C 1.977356 -0.278364 -0.675601
C 0.811992 -0.076583 0.326676
C 3.812322 -1.517403 0.549003
C -0.549864 -0.169250 -0.366689
C 4.109169 0.885176 0.055226
C 4.625145 -2.349205 -0.465883
C 3.574843 2.184132 -0.553010
C -2.919633 0.030856 0.278567
C -3.365468 -0.188701 -1.048711
C -3.854202 0.255053 1.320336
C -4.754114 -0.179687 -1.321202
C -5.232740 0.260401 1.031827
C -5.692970 0.043423 -0.291047
H 1.929732 0.491999 -1.465649
H 1.862607 -1.256941 -1.183696
H 0.864951 -0.839981 1.124607
H 0.903853 0.909785 0.817099
H 4.454336 -1.254532 1.406539
H 2.947306 -2.095637 0.925438
H -0.694422 -1.167584 -0.832752
H -0.648457 0.604926 -1.157872
H 4.024522 -2.604685 -1.358807
H 5.514186 -1.782392 -0.789897
H 4.965947 -3.293544 -0.002836
H 4.247967 2.994619 -0.237291
H 3.581113 2.140355 -1.658524
H 2.547693 2.421304 -0.223853
H -2.657635 -0.364532 -1.864178
H -3.479736 0.421214 2.335175
H -5.097513 -0.348880 -2.348170
H -5.950595 0.434685 1.841105
H -6.765426 0.048806 -0.511555


