%chk=000002419.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002419

0 1
 O    2.442400       2.135900     -0.3477000    
 O    3.316900      -2.422400      0.1462000    
 O   -4.831200       2.060800      0.2819000    
 N    2.866400     -0.1348000      6.6999998E-03
 N  -0.7900000     -0.8918000     -0.2418000    
 N   -3.608300     -0.4598000     -6.8200000E-02
 C    5.617000      0.3831000     -0.2082000    
 C    7.041600      0.5984000     -0.7460000    
 C    5.832000      0.6079000       1.298500    
 C    7.959100     -4.4500001E-02  0.2903000    
 C    7.185800     -2.7700000E-02   1.607600    
 C    4.640500       1.374300     -0.8276000    
 C    5.114600      -1.025100     -0.5343000    
 C    3.220600       1.179200     -0.3486000    
 C    3.694200      -1.269300     -7.5599998E-02
 C    1.495700     -0.3545000      0.4564000    
 C   0.5714000     -0.6467000     -0.7165000    
 C   -1.318300      0.2950000      0.4422000    
 C   -1.667900      -1.255300      -1.360600    
 C   -2.721400      3.1800002E-02  0.9937000    
 C   -3.083500      -1.569400     -0.8699000    
 C   -4.989300     -0.3285000      0.1152000    
 C   -5.596000      0.9326000      0.2897000    
 C   -5.819600      -1.467800      0.1302000    
 C   -6.974300       1.048700      0.4711000    
 C   -7.197800      -1.351500      0.3118000    
 C   -7.775100     -9.3400002E-02  0.4822000    
 C   -4.625400       2.694700     -0.9786000    
 H    7.270400       1.670200     -0.8092000    
 H    7.194400      0.1724000      -1.743200    
 H    5.041100      0.1855000       1.926100    
 H    5.884300       1.681700       1.520600    
 H    8.908500      0.4948000      0.3694000    
 H    8.193600      -1.077300      7.7999998E-03
 H    7.055000      -1.051100       1.977300    
 H    7.717800      0.5329000       2.383000    
 H    4.632600       1.280200      -1.920700    
 H    4.937100       2.403600     -0.5913000    
 H    5.748600      -1.790400     -7.1999997E-02
 H    5.135200      -1.199400      -1.617700    
 H    1.477200      -1.187500       1.170100    
 H    1.209200      0.5449000       1.006600    
 H   0.5979000      0.1802000      -1.438600    
 H   0.9407000      -1.535400      -1.244100    
 H  -0.7230000      0.5728000       1.315200    
 H   -1.343200       1.159700     -0.2346000    
 H   -1.708500     -0.4443000      -2.100500    
 H   -1.278300      -2.144000      -1.871800    
 H   -2.672200     -0.7237000       1.789500    
 H   -3.084500      0.9514000       1.462300    
 H   -3.716400      -1.745900      -1.748600    
 H   -3.069400      -2.488900     -0.2708000    
 H   -5.406400      -2.466700      1.4400000E-02
 H   -7.431200       2.025500      0.6055000    
 H   -7.821300      -2.240700      0.3236000    
 H   -8.847900     -3.0000000E-03  0.6246000    
 H   -5.578700       3.030300      -1.398800    
 H   -4.125200       2.016100      -1.676800    
 H   -3.985500       3.567400     -0.8221000    


%chk=000002419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002419

0 1
O 2.383918 2.057150 0.403394
O 3.391733 -2.423289 -0.379477
O -5.100022 2.229563 0.042431
N 2.908544 -0.188280 0.064948
N -0.837549 -0.708847 -0.256554
N -3.706129 -0.328554 -0.160584
C 5.708833 0.476552 -0.100575
C 7.113466 0.868275 -0.640637
C 6.006324 0.249754 1.413380
C 8.120390 -0.039846 0.123212
C 7.400564 -0.442051 1.457196
C 4.654638 1.572462 -0.360747
C 5.195681 -0.820932 -0.774451
C 3.242590 1.194736 0.068653
C 3.788625 -1.225744 -0.350417
C 1.529250 -0.566737 0.480353
C 0.561079 -0.618260 -0.726654
C -1.417839 0.611612 0.095660
C -1.737607 -1.426395 -1.188204
C -2.798604 0.437648 0.742484
C -3.124899 -1.630311 -0.552486
C -5.103190 -0.269415 0.108216
C -5.782760 0.991957 0.210533
C -5.896041 -1.444255 0.258060
C -7.155725 1.056744 0.514236
C -7.279503 -1.374032 0.530709
C -7.916852 -0.122861 0.680360
C -4.652702 2.486249 -1.344102
H 7.302181 1.933306 -0.399815
H 7.189700 0.762998 -1.739153
H 5.224506 -0.339671 1.926451
H 6.052899 1.235447 1.916260
H 9.072427 0.487023 0.310220
H 8.365869 -0.938805 -0.470806
H 7.290738 -1.539586 1.523627
H 7.973598 -0.127203 2.346797
H 4.619522 1.811059 -1.444728
H 4.904570 2.513165 0.160400
H 5.848124 -1.686405 -0.568814
H 5.184792 -0.689154 -1.876620
H 1.573037 -1.556223 0.959648
H 1.189369 0.187188 1.206450
H 0.727780 0.279872 -1.370253
H 0.796282 -1.512575 -1.331396
H -0.747712 1.133193 0.801517
H -1.514482 1.258812 -0.813580
H -1.865557 -0.869925 -2.152188
H -1.299653 -2.415216 -1.417815
H -2.679303 -0.107453 1.706076
H -3.248796 1.421678 0.946713
H -3.788581 -2.115119 -1.290770
H -3.018240 -2.310907 0.324938
H -5.419644 -2.427173 0.193163
H -7.612092 2.048965 0.596343
H -7.851964 -2.301450 0.645611
H -8.985776 -0.062326 0.909809
H -5.528045 2.557747 -2.017919
H -3.974965 1.685031 -1.692657
H -4.124798 3.452015 -1.311145


