%chk=000128024.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128024

0 1
 O    4.528900      -2.257500      0.5206000    
 O    2.392800      -3.015400      -1.083000    
 O   -6.353000      0.4141000     -0.8471000    
 N   0.2563000       2.549500     -0.4472000    
 N    1.458400       3.183400     -0.7553000    
 N   -4.978200     -0.9106000      0.5362000    
 C    2.446800      0.7480000      0.6977000    
 C    1.359800      0.3484000     -9.5100001E-02
 C    2.476000       2.142800       1.253600    
 C   0.1969000       1.267600     -0.2265000    
 C    3.511200     -0.1377000      0.8942000    
 C    1.342400     -0.9154000     -0.6938000    
 C    2.453200       3.080500      7.1000002E-02
 C   -1.167400      0.6940000     -2.4599999E-02
 C    3.490300      -1.402100      0.3036000    
 C    2.411400      -1.787600     -0.4923000    
 C   -1.337900     -0.3826000      0.8360000    
 C   -2.248700       1.243800     -0.7009000    
 C    3.711800       3.853600     -0.2297000    
 C   -3.704400     -0.3735000      0.3491000    
 C   -2.611900     -0.9187000       1.023600    
 C   -3.522900      0.7077000     -0.5134000    
 C    5.614900      -2.204600     -0.4020000    
 C    1.802800      -4.081600     -0.3423000    
 C   -6.184400     -0.5015000     -4.8400000E-02
 C   -7.345300      -1.344800      0.4160000    
 H    1.616400       2.327000       1.906900    
 H    3.379600       2.318000       1.847100    
 H    4.363300      0.1589000       1.501200    
 H   0.5113000      -1.225900      -1.321900    
 H  -0.5180000     -0.8113000       1.404400    
 H   -2.128300       2.079600      -1.384600    
 H    3.548200       4.553200      -1.053900    
 H    4.506800       3.155000     -0.5045000    
 H    4.015400       4.414300      0.6584000    
 H   -2.740200      -1.756800       1.704000    
 H   -4.318600       1.181200      -1.071400    
 H   -5.027300      -1.697500       1.180100    
 H    5.273700      -2.445600      -1.413700    
 H    6.358900      -2.946200     -9.8300003E-02
 H    6.081700      -1.214600     -0.3885000    
 H    2.342700      -4.244200      0.5959000    
 H    1.865200      -4.992500     -0.9439000    
 H   0.7488000      -3.868700     -0.1373000    
 H   -7.187800      -2.385500      0.1191000    
 H   -8.271900     -0.9819000     -3.7300002E-02
 H   -7.436000      -1.284600       1.504200    


%chk=000128024-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128024

0 1
O 4.807786 -2.089818 0.499196
O 2.467470 -3.061364 -0.975003
O -6.522672 0.604457 -0.848108
N 0.219744 2.562244 -0.329577
N 1.407845 3.204702 -0.651211
N -5.189671 -0.857049 0.421221
C 2.489287 0.814429 0.792444
C 1.347246 0.356924 0.054610
C 2.474725 2.226420 1.355703
C 0.157904 1.240430 -0.097110
C 3.625432 -0.019144 0.904605
C 1.373313 -0.948981 -0.506198
C 2.472467 3.138380 0.123222
C -1.217936 0.682144 0.008445
C 3.651036 -1.301449 0.321686
C 2.497034 -1.781598 -0.369977
C -1.497103 -0.478477 0.782673
C -2.307546 1.333703 -0.632672
C 3.713745 3.897757 -0.265334
C -3.888900 -0.303257 0.255292
C -2.810384 -0.962608 0.906048
C -3.626630 0.859920 -0.520309
C 5.494544 -2.490947 -0.753783
C 2.518471 -4.191331 -0.017504
C -6.407426 -0.413058 -0.104710
C -7.615669 -1.261600 0.290124
H 1.552991 2.407137 1.944005
H 3.348880 2.418903 1.997619
H 4.516281 0.317356 1.445471
H 0.514900 -1.329230 -1.068344
H -0.685374 -0.990232 1.309727
H -2.094690 2.229038 -1.224301
H 3.556896 4.421685 -1.221068
H 4.575690 3.210135 -0.366944
H 3.982381 4.641105 0.510443
H -3.004044 -1.853547 1.518084
H -4.453819 1.364048 -1.022466
H -5.233491 -1.694251 1.006404
H 4.805926 -3.028087 -1.429401
H 6.319402 -3.146010 -0.435609
H 5.898358 -1.595702 -1.262854
H 3.427805 -4.140726 0.608671
H 2.527031 -5.100486 -0.637585
H 1.618762 -4.184007 0.626825
H -8.106895 -1.631396 -0.626332
H -8.345759 -0.621181 0.814522
H -7.371647 -2.123679 0.935362


