%chk=000084370.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084370

1 1
 O    3.812600      -3.742700       1.258600    
 O    3.141100       2.563500       2.107000    
 O    3.525600       2.496500     -0.1358000    
 N    3.120500     -0.3278000     -6.6900000E-02
 N    2.060100      0.3962000      -2.058400    
 C    4.184000     -0.2055000      -1.149200    
 C    1.945200      0.2734000     -0.7717000    
 C    2.840300      -1.778600      0.2794000    
 C    3.512700      0.4489000       1.171100    
 C    3.362500     -0.1853000      -2.419100    
 C   0.7260000      0.7466000     -4.4000000E-02
 C  -0.5242000      3.4499999E-02 -0.5507000    
 C    4.055200      -2.373500      0.9638000    
 C   -1.801700      0.5353000      0.1301000    
 C    3.402500       1.925800      0.9376000    
 C   -3.033200     -0.2192000     -0.3775000    
 C   -4.304800      0.2593000      0.3263000    
 C   -5.581300     -0.3986000     -0.2064000    
 C   -6.895100      0.1030000      0.4009000    
 C   -8.136400     -0.5446000     -0.2132000    
 C   -9.411600     -7.1999999E-03  0.4181000    
 H    4.745500      0.7238000      -1.024700    
 H    4.890500      -1.035800      -1.132900    
 H    2.591500      -2.318800     -0.6417000    
 H    1.961700      -1.813300      0.9348000    
 H    2.840800      0.1475000       1.982100    
 H    4.551200      0.2144000       1.425800    
 H    3.212600      -1.194000      -2.819900    
 H    3.850900      0.4178000      -3.190800    
 H   0.8256000      0.5748000       1.030900    
 H   0.6317000       1.826500     -0.2051000    
 H  -0.4172000      -1.045300     -0.3853000    
 H  -0.6197000      0.1724000      -1.635100    
 H    4.258100      -1.897900       1.926700    
 H    4.971900      -2.337900      0.3738000    
 H   -1.921200       1.609000     -5.8499999E-02
 H   -1.712100      0.4044000       1.215300    
 H   -3.133000     -6.9399998E-02  -1.459200    
 H   -2.907000      -1.295400     -0.2097000    
 H   -4.394400       1.346300      0.2077000    
 H   -4.223300      6.4599998E-02   1.402700    
 H   -5.622800     -0.2469000      -1.292700    
 H   -5.510500      -1.482400     -4.9400002E-02
 H    3.651900      -4.199600      0.4152000    
 H   -6.881200     -8.4600002E-02   1.481600    
 H   -6.953700       1.190700      0.2701000    
 H    3.062000       3.533500       1.984600    
 H   -8.159500     -0.3539000      -1.292200    
 H   -8.094100      -1.631100     -7.5800002E-02
 H   -9.497700       1.073900      0.2697000    
 H   -10.28750     -0.4830000     -3.4000002E-02
 H   -9.432400     -0.2096000       1.493700    


%chk=000084370-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084370

1 1
O 3.135283 -3.774237 1.365761
O 3.920437 2.592951 2.252756
O 3.530381 2.630654 -0.048823
N 3.238971 -0.228334 -0.067894
N 2.209004 0.451851 -2.146237
C 4.341999 -0.147584 -1.134107
C 1.957243 0.417226 -0.897910
C 2.824688 -1.685666 0.232666
C 3.580753 0.499801 1.215986
C 3.577057 0.009725 -2.486862
C 0.711133 0.772451 -0.146570
C -0.551606 0.028013 -0.679428
C 3.840190 -2.540456 1.030165
C -1.837159 0.528140 0.014523
C 3.663591 2.016594 1.028450
C -3.101319 -0.221380 -0.465367
C -4.397997 0.310052 0.187246
C -5.662376 -0.456533 -0.262332
C -6.961962 0.090549 0.370185
C -8.226156 -0.684787 -0.066561
C -9.520425 -0.126888 0.563430
H 4.948720 0.745042 -0.927845
H 4.971020 -1.048624 -1.090162
H 2.604441 -2.158359 -0.739790
H 1.887296 -1.645997 0.814144
H 2.820318 0.267063 1.979754
H 4.550395 0.138313 1.598828
H 3.516450 -0.930735 -3.063064
H 4.052995 0.765408 -3.132038
H 0.821528 0.580539 0.937089
H 0.554014 1.862360 -0.261941
H -0.439084 -1.063163 -0.518274
H -0.621711 0.188539 -1.770948
H 4.101923 -2.066319 1.991677
H 4.772228 -2.722629 0.459938
H -1.960253 1.613567 -0.179973
H -1.742055 0.413494 1.114655
H -3.185469 -0.134186 -1.568161
H -2.996690 -1.303672 -0.242889
H -4.517257 1.386193 -0.056540
H -4.307606 0.248374 1.291947
H -5.747155 -0.410481 -1.368151
H -5.553334 -1.530375 -0.002627
H 3.421929 -4.528020 0.793719
H -6.877416 0.055385 1.476639
H -7.080453 1.161098 0.101357
H 3.994891 3.584938 2.193400
H -8.309062 -0.653820 -1.172174
H -8.111442 -1.753607 0.206944
H -9.677740 0.930226 0.277675
H -10.407735 -0.699277 0.237466
H -9.476815 -0.172719 1.667964


