%chk=000018351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018351

0 1
 O    4.167400      4.4000000E-02 -5.9000000E-02
 O   -3.199100       1.508200     -0.6986000    
 O    3.811200       2.236400     -0.6636000    
 N   -5.242300     -0.5680000     -0.2979000    
 N   -2.064300      7.0100002E-02  0.7756000    
 C   -4.469800      6.6500001E-02  0.7604000    
 C  -0.7159000      0.3365000      0.5134000    
 C   -4.452900      -1.606800     -0.9636000    
 C   -6.481100      -1.138600      0.2364000    
 C  -0.3259000       1.604700      8.3600000E-02
 C   0.2385000     -0.6666000      0.6833000    
 C   -3.193800      0.6475000      0.1756000    
 C    1.973100      0.8670000     -7.0000002E-03
 C    1.018600       1.870000     -0.1766000    
 C    1.582900     -0.4012000      0.4229000    
 C   -5.249000      -2.276600      -2.070600    
 C   -7.349700     -6.6699997E-02  0.8725000    
 C    6.251300      -1.133100      1.0900000E-02
 C   -1.324900       2.700300     -0.1052000    
 C  -0.1491000      -2.034700       1.143500    
 C    5.561800      0.1900000     -0.2901000    
 C    7.759700      -1.043700     -0.2019000    
 C    3.404000       1.149100     -0.2852000    
 C    8.449500      -2.354300      0.1412000    
 H   -4.259800     -0.6275000       1.583200    
 H   -4.992400      0.9298000       1.187700    
 H   -3.568100      -1.174700      -1.444100    
 H   -4.101200      -2.367500     -0.2546000    
 H   -7.094400      -1.563700     -0.5643000    
 H   -6.284400      -1.937100      0.9628000    
 H   -2.239200     -0.7636000       1.329900    
 H    1.318600       2.859000     -0.5153000    
 H    2.306500      -1.199700      0.5639000    
 H   -5.993100      -2.981300      -1.686400    
 H   -5.745900      -1.544600      -2.716700    
 H   -4.571300      -2.860200      -2.704500    
 H   -7.473200      0.7990000      0.2127000    
 H   -6.955200      0.2743000       1.834600    
 H   -8.348500     -0.4720000       1.069900    
 H    6.030400      -1.428600       1.044400    
 H    5.823500      -1.919900     -0.6230000    
 H  -0.7886000       3.648700      6.4800002E-02
 H   -2.085400       2.773600      0.6777000    
 H   -1.641700       2.804600      -1.147100    
 H   0.7030000      -2.723400       1.137400    
 H  -0.9092000      -2.465200      0.4828000    
 H  -0.5319000      -2.000100       2.168800    
 H    5.731300      0.4718000      -1.336000    
 H    5.958400      0.9770000      0.3622000    
 H    8.177700     -0.2455000      0.4225000    
 H    7.973800     -0.7853000      -1.245400    
 H    8.076300      -3.169900     -0.4864000    
 H    9.528700      -2.268200     -1.9800000E-02
 H    8.282900      -2.622900       1.189300    


%chk=000018351-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018351

0 1
O 4.366655 0.049296 -0.030225
O -3.039352 0.437743 -1.145272
O 3.878638 2.235211 -0.675616
N -5.484357 -0.816561 -0.197709
N -1.997354 -0.169087 0.866440
C -4.433205 -0.406172 0.732181
C -0.638073 0.170097 0.563683
C -5.166102 -2.071147 -0.928519
C -6.840307 -0.794422 0.405648
C -0.285037 1.480008 0.118019
C 0.355533 -0.836994 0.776589
C -3.112781 -0.008537 0.029461
C 2.073284 0.753134 0.038596
C 1.077644 1.740504 -0.148435
C 1.704672 -0.530395 0.512272
C -5.914260 -2.188171 -2.269755
C -7.368047 0.629387 0.670050
C 6.583806 -0.945459 0.023458
C -1.306747 2.586613 -0.029845
C -0.037725 -2.222317 1.259114
C 5.804168 0.325109 -0.315453
C 8.099532 -0.772182 -0.235882
C 3.486595 1.114166 -0.261527
C 8.904245 -2.043561 0.109092
H -4.205395 -1.186961 1.513833
H -4.776677 0.487509 1.287269
H -4.082977 -2.061503 -1.145549
H -5.366666 -2.974523 -0.295759
H -7.523399 -1.289474 -0.306599
H -6.880807 -1.395648 1.351861
H -2.151119 -0.728209 1.710940
H 1.388471 2.732709 -0.492920
H 2.480011 -1.287950 0.657143
H -7.010358 -2.240162 -2.138633
H -5.681021 -1.312266 -2.898072
H -5.600193 -3.104143 -2.803968
H -7.327805 1.223003 -0.259189
H -6.784040 1.162450 1.442731
H -8.415472 0.588453 1.022080
H 6.412915 -1.205954 1.086004
H 6.194093 -1.786341 -0.582264
H -0.810814 3.570208 -0.081639
H -2.014331 2.596207 0.820341
H -1.912545 2.440879 -0.942369
H 0.833813 -2.897182 1.257232
H -0.817495 -2.668793 0.613907
H -0.434369 -2.211582 2.295321
H 5.902682 0.605669 -1.380899
H 6.124955 1.189277 0.295986
H 8.481212 0.080745 0.361279
H 8.264282 -0.507078 -1.299990
H 8.561752 -2.905534 -0.493681
H 9.982909 -1.902063 -0.085467
H 8.784766 -2.311102 1.175708


