%chk=000099857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099857

0 1
 O    3.001700      0.5235000      2.3000000E-02
 O   -1.532200      -1.083700      -1.144600    
 N    1.933400      -1.531700     -0.2095000    
 N   -2.511400     -0.8638000      0.9559000    
 C   0.7695000       2.030000     -0.4976000    
 C  -0.8489000       1.581300      0.9811000    
 C   0.6841000      0.4829000     -0.5465000    
 C  -0.3920000      0.1683000      0.5372000    
 C   0.4953000       2.316000      0.9862000    
 C  -0.5193000       2.569300      -1.072000    
 C   -1.489900       2.301200     -0.1863000    
 C    1.999700     -0.1490000     -0.2061000    
 C   -1.520700     -0.6643000      9.7000003E-03
 C    3.071900      -2.378400      6.4999998E-02
 C   -3.717900      -1.613900      0.6910000    
 C    4.314700      -1.552200      0.3492000    
 C   -3.737900      -2.135500     -0.7358000    
 H    1.672200       2.499000     -0.8922000    
 H   -1.404400       1.644000       1.918000    
 H   0.4189000      0.1535000      -1.558700    
 H   4.8599999E-02 -0.3590000       1.394400    
 H    1.229600       1.871400       1.666700    
 H   0.4073000       3.386400       1.214100    
 H  -0.6427000       3.031300      -2.038200    
 H   -2.541400       2.507700     -0.3057000    
 H    1.052500      -1.988500     -0.4264000    
 H   -2.394900     -0.4824000       1.889800    
 H    2.817300      -3.009300      0.9220000    
 H    3.222700      -3.024300     -0.8053000    
 H   -3.760600      -2.438400       1.409000    
 H   -4.568300     -0.9509000      0.8769000    
 H    4.639600     -0.9591000     -0.5119000    
 H    4.225000     -0.9434000       1.254800    
 H    5.141800      -2.245200      0.5493000    
 H   -3.765500      -1.335300      -1.482600    
 H   -2.939400      -2.856600     -0.9382000    
 H   -4.672200      -2.693500     -0.8776000    


%chk=000099857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099857

0 1
O 3.203641 1.027283 -0.370858
O -0.637203 -1.733493 -0.846598
N 2.209262 -1.033125 -0.871743
N -2.453602 -0.762066 0.229994
C 0.676534 2.441396 -0.309696
C -0.811646 1.552079 1.174327
C 0.742659 0.902938 -0.638283
C -0.204311 0.274247 0.466134
C 0.490876 2.417261 1.239691
C -0.724142 2.887400 -0.744662
C -1.618883 2.354622 0.138504
C 2.171604 0.318920 -0.604869
C -1.122025 -0.804719 -0.108063
C 3.464280 -1.800165 -0.893798
C -3.433634 -1.774748 -0.206110
C 3.693447 -2.612050 0.400475
C -4.085868 -2.508741 0.982882
H 1.536145 3.001722 -0.699536
H -1.308462 1.342092 2.136476
H 0.324250 0.703679 -1.641992
H 0.429299 -0.247780 1.212114
H 1.328915 1.928726 1.766821
H 0.308976 3.418960 1.662234
H -0.947247 3.451125 -1.654646
H -2.709798 2.423778 0.093017
H 1.299141 -1.514021 -0.999371
H -2.782093 0.019767 0.798992
H 3.450830 -2.476863 -1.769427
H 4.283922 -1.073735 -1.032352
H -4.209741 -1.288431 -0.829221
H -2.880495 -2.480645 -0.847916
H 3.755882 -1.936449 1.271553
H 2.871085 -3.330383 0.573409
H 4.639468 -3.181271 0.335781
H -3.322906 -3.032537 1.584442
H -4.630968 -1.810341 1.645551
H -4.810993 -3.257030 0.614845


