%chk=000018276.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018276

0 1
 O    1.261000      0.5085000      -2.485400    
 O    1.102600      0.8698000       2.271800    
 O   -2.703900       2.416400     -8.7200001E-02
 O   0.2019000      -1.287000     -7.4000000E-03
 O    4.662200      -1.130400      0.1355000    
 O   -4.386700      -1.894200      0.1148000    
 N  -0.1665000       1.395300     -0.1019000    
 N    2.927300     -0.2818000      -1.111200    
 N    2.887600     -0.1343000       1.217400    
 N   -3.564100      0.2524000      1.2900000E-02
 N   -2.104600      -1.606000      5.3500000E-02
 C    1.043600      0.7583000     -0.1028000    
 C   -1.188200      0.6152000     -5.0999999E-02
 C    1.714800      0.3516000      -1.195200    
 C    1.661500      0.5138000       1.236700    
 C   -2.562500       1.205100     -4.4700000E-02
 C  -0.9413000     -0.8597000     -3.0000001E-04
 C    3.573000     -0.5586000      8.1000000E-02
 C   -3.417500      -1.134200      6.3500002E-02
 H    3.378000     -0.5667000      -1.975200    
 H    3.327900     -0.3156000       2.114900    
 H   -4.518300      0.6024000      2.0000000E-02
 H   -1.990800      -2.615300      9.0300001E-02
 H    1.932600      0.1209000      -3.071400    


%chk=000018276-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018276

0 1
O 1.815121 0.956216 -2.650277
O 0.737650 -0.242756 1.900050
O -2.599323 2.061503 -1.124513
O -0.428192 -2.095789 0.144047
O 5.157280 -0.429709 0.377195
O -4.901461 -1.290247 1.144216
N -0.154441 0.706878 -0.753991
N 3.473695 0.256773 -1.094886
N 2.922997 -0.322609 1.111295
N -3.692316 0.371749 0.027830
N -2.632668 -1.631383 0.694203
C 1.127614 0.293950 -0.446951
C -1.266115 0.152218 -0.331202
C 2.143090 0.538712 -1.381739
C 1.521031 -0.134526 0.920694
C -2.532612 0.950799 -0.544614
C -1.368604 -1.258451 0.202121
C 3.941893 -0.189732 0.171150
C -3.817736 -0.873837 0.664178
H 4.190517 0.257155 -1.826002
H 3.208845 -0.616790 2.050754
H -4.554255 0.922725 -0.037864
H -2.716206 -2.573820 1.088661
H 2.553795 1.416869 -3.125756


