%chk=000155712.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155712

0 1
 O    1.630500       1.239300      -1.616800    
 O   -3.688700      -1.969800     -0.1395000    
 N    2.110400     -0.3713000      8.1000002E-03
 C    3.488200     -0.6015000     -0.4027000    
 C    1.649300      -1.161500       1.147600    
 C    1.277100      0.5521000     -0.6493000    
 C  -9.3300000E-02  0.7146000     -0.1904000    
 C   -1.108900     -7.3299997E-02 -0.7322000    
 C   -2.423000      8.2599998E-02 -0.2916000    
 C    4.444700      0.3254000      0.3189000    
 C    1.042900      -2.476000      0.7021000    
 C  -0.3922000       1.658600      0.7923000    
 C   -2.721700       1.026600      0.6909000    
 C   -1.706300       1.814600       1.232800    
 C   -3.509100     -0.7603000     -0.8703000    
 H    3.754300      -1.649900     -0.2313000    
 H    3.564300     -0.4164000      -1.480000    
 H    2.496800      -1.346700       1.817500    
 H   0.9147000     -0.6024000       1.732800    
 H  -0.8772000     -0.8035000      -1.504300    
 H    4.196300       1.374900      0.1286000    
 H    4.410400      0.1675000       1.401700    
 H    5.471300      0.1514000     -1.8100001E-02
 H   0.1867000      -2.341600      3.9000001E-02
 H    1.777600      -3.085400      0.1653000    
 H   0.7059000      -3.048700       1.572100    
 H   0.3914000       2.277500       1.221700    
 H   -3.741300       1.156000       1.044000    
 H   -1.938700       2.549000       1.998500    
 H   -4.463200     -0.2222000     -0.8803000    
 H   -3.286000      -1.021400      -1.910900    
 H   -2.821800      -2.265200      0.1869000    


%chk=000155712-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155712

0 1
O 1.970274 1.790072 -0.830642
O -4.500022 -1.248013 0.391588
N 2.082799 -0.405980 -0.073381
C 3.515159 -0.429597 -0.472669
C 1.629730 -1.491580 0.828191
C 1.384368 0.776564 -0.320286
C -0.090441 0.855026 0.001058
C -1.017401 -0.157917 -0.353693
C -2.405154 0.012802 -0.133715
C 4.441877 0.212607 0.582857
C 1.450870 -2.857111 0.129595
C -0.571260 2.058079 0.577216
C -2.866476 1.207197 0.475524
C -1.950326 2.223671 0.827085
C -3.394383 -1.063365 -0.563015
H 3.800060 -1.481887 -0.655207
H 3.604580 0.124546 -1.421590
H 2.376783 -1.596683 1.641956
H 0.685173 -1.182910 1.303950
H -0.660517 -1.074615 -0.838620
H 4.185449 1.277612 0.707897
H 4.358143 -0.292418 1.562993
H 5.495796 0.144731 0.256468
H 0.689453 -2.804760 -0.668257
H 2.393133 -3.208986 -0.326605
H 1.130371 -3.617671 0.865269
H 0.144177 2.854272 0.806612
H -3.939856 1.332596 0.655414
H -2.313125 3.150693 1.284521
H -3.908615 -0.778316 -1.497848
H -2.860377 -2.020221 -0.746611
H -4.118840 -1.435437 1.287043


