%chk=000119060.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119060

0 1
 O   -2.716100      0.9264000       1.930200    
 O  -0.2094000       2.261600      -1.973300    
 O  -0.7180000       2.567400       2.545100    
 O    2.369800       2.566900      -1.816600    
 O   -1.112600      -1.511600       2.255000    
 O    1.673500     -0.8178000       2.452100    
 O   -2.484000      -1.350800      -2.308900    
 O    2.605000      -2.753400       1.088100    
 O  -0.4795000      -3.465800     -0.5333000    
 N   -3.905900      0.8482000     -0.7005000    
 C    1.021800       1.988900      0.1147000    
 C   -1.507900       1.377300     -0.1413000    
 C   -1.488700      0.6524000       1.227000    
 C    1.030000       1.296200       1.488500    
 C  -0.1029000       1.438500     -0.8059000    
 C  -0.3667000       1.236000       2.129200    
 C    2.446500       1.939800     -0.5313000    
 C   -2.512100      0.7208000      -1.118600    
 C    1.722000     -6.4199999E-02   1.482100    
 C   -1.429500     -0.8660000       1.070800    
 C    2.895800      0.4946000     -0.6654000    
 C    2.535600     -0.4562000      0.3043000    
 C   -2.235500     -0.7628000      -1.255300    
 C    3.482200       2.724000      0.2969000    
 C   -1.714000      -1.522100     -7.3700003E-02
 C    3.703500      7.8299999E-02  -1.737300    
 C    2.953900      -1.788900      0.1890000    
 C   -4.791000      0.2523000      -1.698500    
 C   -4.244300       2.253300     -0.4860000    
 C   -1.551400      -2.983800     -0.1730000    
 C    4.118200      -1.249900      -1.851100    
 C    3.740600      -2.182800     -0.8909000    
 C   -2.729300      -3.847000      0.1879000    
 H   0.7849000       3.052700      0.2696000    
 H   -1.791500       2.424800      1.4200000E-02
 H    1.650000       1.914500       2.153700    
 H   0.1780000      0.4429000      -1.162900    
 H  -0.2966000      0.6815000       3.071500    
 H   -2.380600       1.168800      -2.113100    
 H    3.692100       2.266100       1.268300    
 H    4.433200       2.794800     -0.2453000    
 H    3.146300       3.754100      0.4623000    
 H   -2.791700       1.887600       2.046300    
 H  -0.4370000       3.161500      -1.683800    
 H   -1.382400       2.488100       3.250500    
 H    2.074200       3.484000      -1.684800    
 H    4.022600      0.7863000      -2.498200    
 H   -1.442900     -0.9699000       2.991100    
 H   -4.755000     -0.8414000      -1.685500    
 H   -4.592200      0.6144000      -2.714000    
 H   -5.837500      0.4891000      -1.468700    
 H   -5.320000       2.356600     -0.2955000    
 H   -4.008400       2.872800      -1.359500    
 H   -3.773700       2.694200      0.3939000    
 H    4.737800      -1.553800      -2.689900    
 H    4.064700      -3.215300     -0.9896000    
 H   -3.603200      -3.236000      0.4319000    
 H   -2.475100      -4.458200       1.057600    
 H   -2.980700      -4.485800     -0.6628000    
 H    1.903400      -2.429400       1.674100    


%chk=000119060-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119060

0 1
O -2.735878 0.999428 1.917322
O -0.106409 2.094059 -2.102304
O -0.704994 2.586099 2.475316
O 2.516971 2.601357 -1.790427
O -1.087026 -1.689759 2.059654
O 1.392225 -1.022292 2.385755
O -2.834957 -1.186518 -2.351945
O 3.010116 -2.711844 1.366629
O -0.576992 -3.481441 -0.307476
N -3.915629 1.209125 -0.373658
C 1.039851 1.948754 0.123901
C -1.438906 1.383901 -0.140762
C -1.476552 0.647143 1.228496
C 1.037467 1.232361 1.505499
C -0.046854 1.343468 -0.813001
C -0.357760 1.199166 2.159966
C 2.486886 1.946558 -0.475315
C -2.583582 0.844756 -1.036902
C 1.706928 -0.139504 1.471078
C -1.453506 -0.876250 1.021934
C 3.025181 0.508529 -0.567997
C 2.680761 -0.451629 0.448238
C -2.464642 -0.681369 -1.241817
C 3.454044 2.795762 0.386553
C -1.906488 -1.476626 -0.147003
C 3.912180 0.148410 -1.588242
C 3.283562 -1.768718 0.413731
C -5.037657 0.275234 -0.694015
C -4.299799 2.612738 -0.706118
C -1.729627 -2.977373 -0.344011
C 4.483250 -1.156425 -1.613451
C 4.184893 -2.107152 -0.625749
C -2.978255 -3.798319 -0.594652
H 0.757530 3.005357 0.310310
H -1.641337 2.449867 0.095349
H 1.656420 1.846692 2.193576
H 0.219699 0.321547 -1.134796
H -0.328803 0.609874 3.096471
H -2.536817 1.289652 -2.051308
H 3.690930 2.325943 1.356364
H 4.395367 2.915884 -0.175015
H 3.024278 3.797921 0.559519
H -3.435220 1.095722 1.112479
H -0.403322 3.022286 -1.909549
H -1.684344 2.543969 2.680780
H 1.684480 2.336199 -2.284597
H 4.148137 0.885983 -2.359796
H -0.240634 -1.374769 2.532345
H -4.819380 -0.727089 -0.292480
H -5.214304 0.186506 -1.784640
H -5.951356 0.652997 -0.204621
H -5.185172 2.896590 -0.112102
H -4.539349 2.729858 -1.784208
H -3.481961 3.305661 -0.448350
H 5.173621 -1.424695 -2.420982
H 4.617747 -3.110835 -0.633870
H -3.489940 -3.414686 -1.496354
H -3.675397 -3.694681 0.259059
H -2.715605 -4.858704 -0.731594
H 2.314229 -2.319881 2.010184


