%chk=000127861.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127861

0 1
 O  -0.4057000      0.5272000     -0.3740000    
 O    2.160800       3.976000      7.5000003E-02
 O    4.702100     -0.9045000      0.3374000    
 O    4.047300      -2.888400       3.253800    
 O    5.290700      -3.343000       1.400500    
 N   -1.961700       1.905000      0.5181000    
 N  -6.6000000E-03   4.088700      0.7110000    
 C   -1.577600     -0.1609000     -0.2813000    
 C   -2.512600      0.6801000      0.2594000    
 C  -0.7172000       1.755100      0.1241000    
 C   0.2761000       2.847700      0.2168000    
 C    1.583600       2.767100     -0.1714000    
 C   -1.544800      -1.517400     -0.7464000    
 C   -3.884400      0.3483000      0.5261000    
 C    2.440300       1.768900     -0.7429000    
 C    3.166600      0.9051000      8.3700001E-02
 C   -2.693300      -2.106300      -1.286100    
 C  -0.3638000      -2.263200     -0.6648000    
 C   -4.245300     -0.1855000       1.763100    
 C   -4.855600      0.5592000     -0.4527000    
 C    2.555900       1.649700      -2.132000    
 C    3.998700     -6.6699997E-02 -0.4723000    
 C    3.388000      0.6781000      -2.688000    
 C    1.144800       4.712300      0.6025000    
 C    4.109400     -0.1801000      -1.858000    
 C   -2.661300      -3.425300      -1.738900    
 C  -0.3319000      -3.582100      -1.117600    
 C   -5.577500     -0.5084000       2.021500    
 C   -6.187700      0.2363000     -0.1943000    
 C   -1.480500      -4.163200      -1.654800    
 C   -6.548700     -0.2973000       1.042800    
 C    4.124500      -1.221100       1.603200    
 C    4.567400      -2.591000       2.036400    
 H    3.084500       1.030600       1.160700    
 H   -3.623600      -1.566200      -1.405300    
 H   0.5452000      -1.838300     -0.2449000    
 H   -3.500300     -0.3562000       2.536600    
 H   -4.591400      0.9763000      -1.421700    
 H    1.999800       2.310000      -2.793700    
 H    3.473800      0.5892000      -3.766900    
 H    1.379900       5.729100      0.8788000    
 H    4.755400     -0.9356000      -2.296800    
 H   -3.553300      -3.875800      -2.164400    
 H   0.5872000      -4.157100      -1.051000    
 H   -5.858700     -0.9242000       2.984600    
 H   -6.943900      0.4006000     -0.9562000    
 H   -1.455200      -5.189600      -2.008900    
 H   -7.586000     -0.5488000       1.243900    
 H    4.467100     -0.4915000       2.344200    
 H    3.029000      -1.254000       1.549300    
 H    4.321200      -3.778700       3.561400    


%chk=000127861-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127861

0 1
O -0.364142 0.532053 -0.924597
O 1.832054 4.310683 -1.360189
O 3.775495 -1.175852 0.636358
O 1.942159 -2.969096 3.196759
O 3.901955 -3.546804 2.073276
N -1.931831 1.822875 0.119705
N -0.410195 4.245693 -0.916569
C -1.435353 -0.327574 -0.542148
C -2.379029 0.476154 0.120115
C -0.750050 1.825112 -0.487423
C 0.134224 2.936908 -0.776327
C 1.514727 2.962746 -1.030043
C -1.302687 -1.716436 -0.986090
C -3.641015 0.149026 0.812943
C 2.641559 2.029234 -0.993937
C 2.599709 0.870692 -0.167701
C -2.431815 -2.578217 -1.091437
C -0.023928 -2.217255 -1.371899
C -3.833426 -1.079552 1.501771
C -4.674549 1.124762 0.847051
C 3.801625 2.299723 -1.767922
C 3.705723 -0.005507 -0.141930
C 4.896440 1.408956 -1.728639
C 0.609065 5.006788 -1.259132
C 4.858407 0.253890 -0.925116
C -2.277543 -3.905484 -1.539571
C 0.122681 -3.545548 -1.818817
C -5.043763 -1.337377 2.179464
C -5.884713 0.862347 1.521988
C -1.001152 -4.401143 -1.897055
C -6.078152 -0.372013 2.185974
C 2.652445 -1.464379 1.512835
C 2.955531 -2.762718 2.247236
H 1.715763 0.682233 0.444617
H -3.429647 -2.203693 -0.846481
H 0.843169 -1.548752 -1.348583
H -3.027756 -1.820799 1.533268
H -4.505852 2.085157 0.349880
H 3.836457 3.196135 -2.392969
H 5.786855 1.616684 -2.330861
H 0.629567 6.070801 -1.472044
H 5.695342 -0.448715 -0.878767
H -3.158528 -4.551701 -1.619985
H 1.113384 -3.910940 -2.110257
H -5.174825 -2.285611 2.712693
H -6.674564 1.621450 1.534609
H -0.886548 -5.433981 -2.243132
H -7.017670 -0.574651 2.712020
H 2.494247 -0.659283 2.257977
H 1.709292 -1.599613 0.944017
H 2.101558 -3.827206 3.674663


