%chk=000004841.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004841

1 1
 O   0.3683000      0.1156000     -0.4504000    
 O   -1.788500      0.5002000      -1.978000    
 O  -0.6468000       1.809800      0.7278000    
 N    4.081400      8.7300003E-02  2.2800000E-02
 C    4.336000       1.527000     -0.4386000    
 C    5.151700     -0.8578000     -0.5349000    
 C    2.720500     -0.3558000     -0.5302000    
 C    5.745700       1.991800     -9.5399998E-02
 C    6.559200     -0.3870000     -0.1909000    
 C    4.002400     -1.2000001E-03   1.546500    
 C    6.805100       1.045700     -0.6428000    
 C    1.636000      0.5434000      2.9700000E-02
 C    3.625600      -1.411400       1.944800    
 C  -0.7162000      0.8432000     -2.2100000E-02
 C   -2.017200      0.2558000     -0.5751000    
 C   -3.278100      0.9875000     -0.1089000    
 C   -2.137100      -1.249700     -0.3282000    
 C   -3.639000      0.8986000       1.215700    
 C   -2.676100      -2.038600      -1.318300    
 C   -4.001700       1.706500      -1.032100    
 C   -1.701100      -1.756800      0.8743000    
 C   -4.787900       1.565600       1.640900    
 C   -2.785300      -3.410900      -1.093400    
 C   -5.150500       2.373500     -0.6069000    
 C   -1.810400      -3.129200       1.099100    
 C   -5.543600       2.303000      0.7296000    
 C   -2.352500      -3.956100      0.1151000    
 H    4.172600       1.562500      -1.522100    
 H    3.630900       2.194500      6.3400000E-02
 H    4.964700      -1.884600     -0.2169000    
 H    5.031100     -0.8424000      -1.626400    
 H    2.759800     -0.2527000      -1.622800    
 H    2.551500      -1.420500     -0.3425000    
 H    5.862600       2.089500      0.9901000    
 H    5.905700       2.993300     -0.5118000    
 H    7.284800      -1.045000     -0.6838000    
 H    6.748100     -0.4795000      0.8840000    
 H    3.329500      0.7629000       1.943200    
 H    4.992000      0.2335000       1.949100    
 H    7.799100       1.372300     -0.3172000    
 H    6.799900       1.088500      -1.739100    
 H    1.569800      0.5049000       1.118000    
 H    1.756700       1.580400     -0.2930000    
 H    4.323500      -2.184100       1.620200    
 H    2.606600      -1.698600       1.675800    
 H    3.645600      -1.459500       3.041600    
 H   -1.108900     -0.1193000      -2.296200    
 H   -3.059300      0.3540000       1.951300    
 H   -3.032600      -1.633300      -2.259800    
 H   -3.728600       1.783100      -2.078800    
 H   -1.272300      -1.136100       1.654200    
 H   -5.091200       1.515600       2.682700    
 H   -3.210600      -4.054600      -1.858000    
 H   -5.739500       2.948000      -1.316100    
 H   -1.472500      -3.554200       2.039700    
 H   -6.437400       2.823400       1.060800    
 H   -2.438100      -5.024500      0.2904000    


%chk=000004841-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004841

1 1
O 0.467441 -0.282076 -0.197805
O -1.565006 -0.435900 -1.835483
O -0.753339 0.625545 1.555769
N 4.206685 0.274751 0.019117
C 4.249482 1.823438 0.143616
C 5.200924 -0.156556 -1.092986
C 2.803128 -0.163504 -0.446189
C 5.667516 2.379508 0.356230
C 6.625303 0.374350 -0.875748
C 4.565963 -0.363275 1.386685
C 6.640377 1.914112 -0.749232
C 1.677264 0.080996 0.568023
C 4.500461 -1.894251 1.432437
C -0.755437 0.083420 0.437004
C -1.976437 -0.324320 -0.432771
C -3.028198 0.803503 -0.369437
C -2.527751 -1.681525 0.073026
C -3.848711 0.948938 0.774710
C -3.319245 -2.435922 -0.831819
C -3.157560 1.712206 -1.447228
C -2.309837 -2.174725 1.382674
C -4.793544 1.995313 0.839469
C -3.873770 -3.670090 -0.433292
C -4.109830 2.754343 -1.380923
C -2.866762 -3.413271 1.777751
C -4.927532 2.901800 -0.237781
C -3.647064 -4.165585 0.872530
H 3.821840 2.209598 -0.799281
H 3.579709 2.101680 0.973468
H 5.168160 -1.256748 -1.144332
H 4.780856 0.245287 -2.033090
H 2.583145 0.395447 -1.371591
H 2.860062 -1.234765 -0.697708
H 6.053574 2.109424 1.356566
H 5.580219 3.481624 0.353685
H 7.226193 0.052234 -1.745920
H 7.094798 -0.096170 0.008625
H 3.872683 0.084753 2.118884
H 5.579631 -0.016310 1.635976
H 7.661553 2.267526 -0.527118
H 6.349400 2.368086 -1.717143
H 1.747888 -0.560457 1.464910
H 1.594777 1.132689 0.896302
H 5.229455 -2.377477 0.760698
H 3.496124 -2.295868 1.217305
H 4.757659 -2.208581 2.459339
H -0.932381 -1.194253 -1.917870
H -3.762583 0.244594 1.608254
H -3.504148 -2.041310 -1.836068
H -2.532987 1.582670 -2.334607
H -1.729351 -1.595166 2.109416
H -5.429325 2.098123 1.725318
H -4.489284 -4.240718 -1.137042
H -4.214603 3.447261 -2.223013
H -2.697253 -3.783909 2.794589
H -5.665942 3.709436 -0.188460
H -4.080988 -5.122424 1.181664


