%chk=000018873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018873

0 1
 O  -0.9930000     -0.2273000      1.1600000E-02
 O    1.145900     -0.5501000      -1.562000    
 O   0.2599000      -1.631400       1.333600    
 N   -4.668500     -0.5501000      0.4197000    
 C   -3.372900     -2.3200000E-02 -3.0800000E-02
 C   -3.429500     -0.2414000      -1.544200    
 C   -4.913900     -0.2664000      -1.891800    
 C   -5.636200     -6.8800002E-02 -0.5694000    
 C   -2.179700     -0.7317000      0.5981000    
 C   -5.027000     -0.1267000       1.767800    
 C   -6.392700     -0.6603000       2.166000    
 C    1.390700     -0.1070000     -0.2116000    
 C   0.1883000     -0.7650000      0.4700000    
 C    2.744900     -0.6257000      0.2784000    
 C    1.338600       1.421400     -0.1543000    
 C    2.931900     -0.9190000       1.629300    
 C    1.744700       2.174900      -1.255800    
 C    3.791700     -0.8056000     -0.6257000    
 C   0.8844000       2.061100      0.9992000    
 C    1.135500      -1.962000      -1.631800    
 C    4.165800      -1.391800       2.076100    
 C    1.697100       3.567900      -1.203700    
 C    5.025600      -1.278600     -0.1789000    
 C   0.8367000       3.454200       1.051000    
 C   0.8760000      -2.383100      -3.062500    
 C    5.212500      -1.571700       1.172000    
 C    1.243000       4.207600     -5.0400000E-02
 H   -3.299100       1.058600      0.1523000    
 H   -2.969000      -1.190800      -1.844000    
 H   -2.911500      0.5616000      -2.080000    
 H   -5.173200      -1.234800      -2.335800    
 H   -5.175000      0.5141000      -2.613600    
 H   -5.866500      0.9956000     -0.4312000    
 H   -6.572200     -0.6362000     -0.5608000    
 H   -2.239700      -1.814400      0.4295000    
 H   -2.150400     -0.5461000       1.677800    
 H   -4.296600     -0.5201000       2.483700    
 H   -5.019900      0.9662000       1.866300    
 H   -7.204700     -0.1801000       1.611200    
 H   -6.459200      -1.743500       2.016900    
 H   -6.570600     -0.4628000       3.228700    
 H    2.163200     -0.7386000       2.373900    
 H    2.110000       1.700300      -2.162200    
 H    3.682200     -0.5637000      -1.679400    
 H   0.5732000       1.496800       1.873900    
 H   0.3202000      -2.417400      -1.061100    
 H    2.068000      -2.437200      -1.320400    
 H    4.316100      -1.607200       3.130000    
 H    2.015400       4.154800      -2.060300    
 H    5.842800      -1.413000     -0.8816000    
 H   0.4857000       3.952600       1.949800    
 H    1.658100      -1.996700      -3.724700    
 H  -7.5000003E-02  -1.973600      -3.419600    
 H   0.8460000      -3.472800      -3.153500    
 H    6.174600      -1.935700       1.520600    
 H    1.206800       5.292300     -9.4999997E-03


%chk=000018873-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018873

0 1
O -1.037459 -0.224732 0.063419
O 1.470672 -0.899716 -1.793091
O -0.069515 -2.288030 0.488255
N -4.732634 -0.172295 0.664823
C -3.403621 0.329653 0.186252
C -3.621444 0.735445 -1.299457
C -4.950561 0.037606 -1.691164
C -5.756204 0.099832 -0.378149
C -2.385574 -0.805106 0.366924
C -5.092908 0.206537 2.046300
C -6.282207 -0.605442 2.591839
C 1.352295 -0.425995 -0.379340
C 0.040453 -1.085174 0.140501
C 2.600419 -0.817038 0.432298
C 1.224249 1.106851 -0.471036
C 2.564416 -1.491557 1.675619
C 0.883974 1.738540 -1.690159
C 3.858086 -0.430911 -0.103469
C 1.420259 1.897742 0.687558
C 1.777547 -2.338097 -1.999157
C 3.764713 -1.767883 2.373028
C 0.745069 3.143461 -1.748917
C 5.053582 -0.715130 0.585649
C 1.272079 3.300268 0.630525
C 1.882632 -2.532812 -3.511849
C 5.011304 -1.384116 1.833064
C 0.933786 3.930359 -0.589711
H -3.054448 1.204545 0.777363
H -2.765642 0.446528 -1.932911
H -3.733580 1.832274 -1.375795
H -4.772392 -1.016716 -1.971411
H -5.466886 0.535216 -2.529784
H -6.216584 1.113693 -0.254721
H -6.568779 -0.647289 -0.340133
H -2.579293 -1.645171 -0.323504
H -2.382362 -1.193946 1.400969
H -4.210164 0.027613 2.689963
H -5.327260 1.301228 2.118906
H -7.204429 -0.410577 2.015524
H -6.063862 -1.686579 2.536762
H -6.481676 -0.337409 3.645568
H 1.610858 -1.822203 2.095822
H 0.740398 1.123786 -2.582060
H 3.884227 0.094405 -1.065047
H 1.698959 1.419382 1.633524
H 0.974568 -2.961421 -1.561927
H 2.728863 -2.590456 -1.491891
H 3.721651 -2.290755 3.335165
H 0.488004 3.623435 -2.700368
H 6.015356 -0.411449 0.157153
H 1.427404 3.900580 1.534272
H 2.679538 -1.897334 -3.935844
H 0.930988 -2.274194 -4.008144
H 2.118815 -3.588570 -3.739152
H 5.938665 -1.602513 2.374579
H 0.825155 5.020037 -0.636634


