%chk=000097397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097397

0 1
 O    1.909200      -1.945100      0.8435000    
 O  -0.7148000      0.7516000      -1.966000    
 O    2.669700       2.570100      0.5431000    
 N    2.223200      0.3260000      0.7662000    
 N   0.9120000       1.673200     -0.6367000    
 C   0.1489000     -0.6078000     -0.1532000    
 C  -0.8772000     -0.4263000      0.9797000    
 C  -0.2277000      -1.841900     -0.9859000    
 C    1.506400     -0.8324000      0.5055000    
 C   7.4000001E-02  0.6397000      -1.027800    
 C  -0.8794000      -1.648400       1.893300    
 C   -2.247600     -0.1996000      0.3997000    
 C   0.8153000      -2.118500      -2.045200    
 C    1.972700       1.594900      0.2577000    
 C   -2.961600      0.9185000      0.5970000    
 C   -4.323200       1.146100      2.9100001E-02
 H  -0.5966000      0.4397000       1.596200    
 H   -1.185200      -1.723500      -1.504200    
 H  -0.3005000      -2.754800     -0.3882000    
 H   -1.598500      -1.479900       2.706700    
 H   7.6300003E-02  -1.821100       2.393400    
 H   -1.206700      -2.573000       1.411100    
 H   -2.707800      -1.004600     -0.1674000    
 H   0.9589000      -1.269300      -2.720100    
 H    1.789100      -2.389700      -1.628700    
 H   0.4932000      -2.964700      -2.662900    
 H    3.065700      0.2225000       1.324800    
 H   0.7882000       2.562800      -1.112200    
 H   -2.539300       1.729200       1.184700    
 H   -4.675000      0.2948000     -0.5622000    
 H   -4.313800       2.029000     -0.6173000    
 H   -5.039700       1.319100      0.8378000    


%chk=000097397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097397

0 1
O 2.067113 -1.822278 0.981379
O -0.681018 0.539401 -2.130927
O 2.391094 2.790309 0.524925
N 2.138023 0.480768 0.802634
N 0.751849 1.656378 -0.702335
C 0.191671 -0.729759 -0.200835
C -0.927486 -0.534823 0.968763
C -0.029443 -2.035326 -1.008393
C 1.538057 -0.769979 0.538897
C 0.055544 0.497761 -1.115227
C -1.049461 -1.798632 1.858013
C -2.278662 -0.145467 0.399954
C 0.986420 -2.245979 -2.152203
C 1.793273 1.723182 0.238380
C -2.920482 1.014041 0.697654
C -4.281273 1.412979 0.176797
H -0.571520 0.304976 1.600587
H -1.051070 -2.011186 -1.427132
H 0.036486 -2.884528 -0.307787
H -1.652443 -1.549100 2.748978
H -0.066507 -2.173390 2.191954
H -1.568271 -2.615248 1.326443
H -2.761781 -0.873533 -0.267586
H 0.922592 -1.439178 -2.902961
H 2.020653 -2.299683 -1.766829
H 0.778254 -3.199341 -2.670219
H 2.963897 0.482781 1.410115
H 0.556864 2.523352 -1.213604
H -2.424562 1.734776 1.368619
H -4.706756 0.635413 -0.481002
H -4.220921 2.354976 -0.402317
H -4.991935 1.592937 1.006764


