%chk=000004996.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004996

0 1
 O   -2.259200       1.423600      0.2190000    
 O    7.323300     -1.1300000E-02  -1.247100    
 O    8.397900      -1.048700       1.012200    
 N   -3.219200     -0.6826000     -0.1742000    
 N    7.183200     -0.3507000       1.035500    
 N   -6.386300       1.150200      0.3763000    
 C    1.701300     -0.2657000     -0.2967000    
 C    2.887500      0.6881000     -0.1372000    
 C   0.3694000      0.4758000     -0.1466000    
 C    4.219700     -5.7900000E-02 -0.2562000    
 C  -0.8335000     -0.4592000     -0.2667000    
 C    5.423400      0.8645000     -7.1000002E-02
 C   -2.175100      0.2298000     -4.9500000E-02
 C    6.742500      0.1266000     -0.1726000    
 C   -4.605500     -0.4302000     -4.2900000E-02
 C   -5.537100      -1.451900     -0.1906000    
 C   -5.077300      0.8420000      0.2376000    
 C   -6.892700      -1.174000     -5.5199999E-02
 C   -7.262300      0.1315000      0.2259000    
 H    1.744100     -0.7486000      -1.280400    
 H    1.764300      -1.059600      0.4574000    
 H    2.836500       1.472900     -0.9016000    
 H    2.832700       1.183100      0.8400000    
 H   0.2969000       1.263100     -0.9074000    
 H   0.3416000      0.9796000      0.8278000    
 H    4.283700     -0.5462000      -1.236700    
 H    4.259300     -0.8602000      0.4915000    
 H  -0.8428000     -0.9193000      -1.262300    
 H  -0.7471000      -1.265100      0.4726000    
 H    5.419800       1.651100     -0.8351000    
 H    5.365100       1.370000      0.9006000    
 H   -2.976400      -1.648100     -0.3860000    
 H    6.782700     -0.1523000       1.945100    
 H   -5.219300      -2.467500     -0.4108000    
 H   -4.447400       1.709800      0.3705000    
 H   -7.636600      -1.954500     -0.1662000    
 H   -8.307100      0.4003000      0.3411000    
 H    8.070000      -1.962300      0.9554000    


%chk=000004996-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004996

0 1
O -2.358352 0.933886 1.260617
O 6.918529 -1.014634 -1.048633
O 9.010801 -0.229202 0.370887
N -3.324126 -0.679860 -0.142173
N 7.742151 0.438710 0.496299
N -6.511296 1.196663 0.538658
C 1.640293 -0.553331 0.203714
C 2.821483 0.426138 0.018536
C 0.268710 0.154601 0.175069
C 4.193245 -0.281193 0.053222
C -0.910892 -0.829759 0.353960
C 5.371587 0.706677 -0.133010
C -2.246367 -0.097899 0.537950
C 6.699938 -0.018430 -0.270243
C -4.688486 -0.283472 -0.149310
C -5.603595 -1.055156 -0.914975
C -5.193928 0.843302 0.565878
C -6.962439 -0.688038 -0.942217
C -7.375530 0.443915 -0.201585
H 1.682746 -1.328349 -0.589833
H 1.756415 -1.088272 1.169587
H 2.707125 0.959303 -0.948416
H 2.777536 1.202225 0.810767
H 0.149685 0.702726 -0.780961
H 0.210315 0.910323 0.980486
H 4.251638 -1.043959 -0.745842
H 4.312470 -0.819390 1.014750
H -0.951199 -1.542218 -0.494085
H -0.736314 -1.431327 1.269644
H 5.209547 1.289164 -1.061768
H 5.405032 1.432655 0.703461
H -3.102609 -1.505551 -0.704931
H 7.769116 1.198123 1.173393
H -5.254422 -1.929605 -1.479261
H -4.522517 1.461295 1.164021
H -7.687590 -1.265669 -1.523953
H -8.422874 0.765097 -0.193819
H 8.774175 -0.933388 -0.320380


