%chk=000048984.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048984

0 1
 O  -0.8833000       1.267000     -8.9199997E-02
 O    5.273000      0.5853000      0.7476000    
 O  -0.2656000       3.371400     -0.7886000    
 N   -5.366200     -0.5529000      0.1748000    
 C   -6.714600     -0.2151000      0.6699000    
 C   -7.427900      -1.496000       1.143600    
 C   -5.373900      -1.544700     -0.9062000    
 C   -7.465000      -2.576500      6.6900000E-02
 C   -6.063500      -2.837600     -0.4702000    
 C   -4.580500      0.6209000     -0.1952000    
 C   -7.594700      0.5732000     -0.3125000    
 C   -3.094900      0.3550000      2.6799999E-02
 C   -2.250300       1.570600     -0.3303000    
 C    7.454300      -2.425900      9.1000004E-03
 C    7.025300     -0.9649000      0.2194000    
 C   7.7999998E-03   2.260500     -0.3616000    
 C    5.557900     -0.8048000      0.5990000    
 C    6.628000      -3.053700      -1.115800    
 C    8.944300      -2.555200     -0.3105000    
 C    1.395000       1.818600     -7.0400000E-02
 C    4.001600      0.9893000      0.4780000    
 C    2.463500       2.689600     -0.2832000    
 C    1.629900      0.5328000      0.4168000    
 C    3.766700       2.275100     -9.1000004E-03
 C    2.933200      0.1181000      0.6909000    
 H   -6.594200      0.4131000       1.563100    
 H   -6.902800      -1.892300       2.023200    
 H   -8.449000      -1.266400       1.470400    
 H   -5.866300      -1.149700      -1.803500    
 H   -4.352900      -1.809200      -1.201800    
 H   -7.883100      -3.500700      0.4811000    
 H   -8.125000      -2.269500     -0.7526000    
 H   -6.115500      -3.533200      -1.315600    
 H   -5.462500      -3.326600      0.3073000    
 H   -4.850800       1.471700      0.4443000    
 H   -4.775300      0.9329000      -1.229200    
 H   -7.142800       1.537500     -0.5666000    
 H   -8.571300      0.7845000      0.1372000    
 H   -7.772100      3.0099999E-02  -1.245300    
 H   -2.908100      8.2199998E-02   1.073800    
 H   -2.741700     -0.4951000     -0.5683000    
 H   -2.546500       2.428000      0.2855000    
 H   -2.386800       1.824200      -1.388200    
 H    7.260900      -2.986400      0.9326000    
 H    7.230300     -0.3766000     -0.6850000    
 H    7.643600     -0.5109000       1.004800    
 H    4.938800      -1.234300     -0.1953000    
 H    5.354100      -1.318200       1.545400    
 H    6.662000      -2.446200      -2.026600    
 H    5.581800      -3.188000     -0.8258000    
 H    7.011000      -4.049800      -1.365200    
 H    9.196900      -2.032700      -1.239400    
 H    9.231400      -3.606100     -0.4217000    
 H    9.549700      -2.125900      0.4946000    
 H    2.301700       3.695400     -0.6620000    
 H   0.8273000     -0.1751000      0.6031000    
 H    4.595200       2.958000     -0.1765000    
 H    3.069700     -0.8803000       1.096000    


%chk=000048984-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048984

0 1
O -1.003803 1.211162 -0.052537
O 5.376405 0.493682 -0.291427
O -0.400400 3.413306 -0.532607
N -5.620682 -0.520361 0.199584
C -6.918772 -0.336878 0.920864
C -7.574533 -1.725732 1.137033
C -5.754843 -1.220581 -1.102024
C -7.746329 -2.504482 -0.187765
C -6.388502 -2.614491 -0.915807
C -4.786016 0.700913 0.129883
C -7.897787 0.676282 0.254460
C -3.274017 0.373452 0.100366
C -2.429850 1.640397 -0.042393
C 7.873754 -2.343609 0.338757
C 7.286595 -0.969431 -0.083123
C -0.064500 2.220250 -0.313706
C 5.759510 -0.906944 -0.005810
C 7.410109 -3.493024 -0.590260
C 9.418471 -2.267243 0.374264
C 1.328262 1.706603 -0.297403
C 4.019511 0.822202 -0.279446
C 2.388142 2.616542 -0.569513
C 1.635796 0.351296 -0.018413
C 3.720519 2.182157 -0.562268
C 2.971324 -0.097045 -0.006637
H -6.656455 0.068230 1.919867
H -6.922484 -2.311592 1.813741
H -8.550987 -1.595102 1.642617
H -6.364657 -0.630315 -1.834442
H -4.748500 -1.329650 -1.545751
H -8.158142 -3.511115 0.016624
H -8.478733 -1.990200 -0.842166
H -6.510986 -3.100019 -1.903455
H -5.698862 -3.239061 -0.315448
H -4.999907 1.311130 1.029797
H -5.042441 1.339039 -0.754838
H -7.415472 1.661011 0.114110
H -8.784205 0.825304 0.898602
H -8.253548 0.329663 -0.731964
H -3.006012 -0.160730 1.029408
H -3.043055 -0.304180 -0.742251
H -2.577934 2.342331 0.800396
H -2.642050 2.186306 -0.980909
H 7.518993 -2.566612 1.368420
H 7.608018 -0.729440 -1.115715
H 7.695594 -0.177874 0.573964
H 5.280275 -1.571562 -0.751648
H 5.401305 -1.185982 1.007412
H 7.696295 -3.283946 -1.639299
H 6.315134 -3.642740 -0.560658
H 7.883256 -4.448149 -0.296370
H 9.821809 -2.042588 -0.632036
H 9.856234 -3.226606 0.706466
H 9.767716 -1.475711 1.063029
H 2.138597 3.660891 -0.783320
H 0.819213 -0.345377 0.190658
H 4.547728 2.867431 -0.769208
H 3.183698 -1.146711 0.214096


