%chk=000128881.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128881

0 1
 O   0.2960000      0.6437000       1.801900    
 O   -3.390000       2.910000     -0.2494000    
 O   -2.326800       2.625200      -2.231200    
 O   -6.381100      -2.714000      0.8157000    
 N    2.305400       2.626600       2.216500    
 N    5.505200     -0.6040000     -0.4179000    
 N    6.460500      -2.794300     -0.6629000    
 N    7.794900     -0.9535000     -0.5023000    
 C   -1.548800       1.379500     -0.2790000    
 C  -9.5700003E-02   1.879000     -0.2422000    
 C    2.193100       1.869800      0.9714000    
 C    3.209200      0.7204000      0.9324000    
 C   -1.650600     -6.3500002E-02 -0.8155000    
 C   0.7539000       1.366300      0.9166000    
 C    3.114000     -8.6800002E-02 -0.3702000    
 C   -2.913300     -0.7715000     -0.3798000    
 C   -2.435000       2.356800      -1.042100    
 C    4.164200      -1.189800     -0.4496000    
 C   -2.928400      -1.504700      0.8068000    
 C   -4.063600     -0.6912000      -1.164700    
 C   -4.093700      -2.157600       1.208400    
 C   -5.228900      -1.344100     -0.7631000    
 C   -5.244000      -2.077300      0.4234000    
 C    6.503400      -1.424900     -0.5233000    
 H   -1.914000       1.380100      0.7583000    
 H  -9.1700003E-02   2.973900     -0.1657000    
 H   0.4118000       1.614700      -1.177700    
 H    2.373000       2.546700      0.1286000    
 H    3.049100      4.3000001E-02   1.781500    
 H    4.218600       1.135800       1.041000    
 H  -0.7917000     -0.6576000     -0.4772000    
 H   -1.593600     -6.6600002E-02  -1.912000    
 H    3.234400      0.5906000      -1.224700    
 H    2.121900     -0.5446000     -0.4571000    
 H    3.254600       2.985200       2.314000    
 H    1.697000       3.443900       2.177000    
 H    4.027200      -1.880600      0.3913000    
 H    4.011700      -1.743200      -1.384100    
 H   -2.039200      -1.572600       1.427800    
 H   -4.064900     -0.1241000      -2.091700    
 H   -4.099500      -2.726600       2.134100    
 H   -6.118300      -1.273800      -1.383500    
 H   -3.960600       3.534100     -0.7465000    
 H   -7.076800      -2.551600      0.1557000    
 H    7.313100      -3.338800     -0.7371000    
 H    5.587100      -3.307900     -0.6944000    
 H    8.589200      -1.578800     -0.5823000    
 H    7.989200      3.7200000E-02 -0.4042000    


%chk=000128881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128881

0 1
O -0.013378 1.183206 2.144009
O -2.488615 3.351277 -1.164026
O -2.377066 1.539675 -2.607288
O -6.517526 -2.543634 0.862437
N 2.397666 2.454615 2.643590
N 5.284927 -0.543177 -0.425829
N 6.363220 -2.554540 -1.260985
N 7.599488 -0.605968 -0.827599
C -1.426443 1.356878 -0.314400
C 0.006065 1.939360 -0.179988
C 2.160816 1.879252 1.307842
C 2.945898 0.541719 1.054183
C -1.421974 -0.189039 -0.479680
C 0.653433 1.622972 1.166721
C 2.873237 -0.037413 -0.375123
C -2.769011 -0.823019 -0.162501
C -2.134816 2.028859 -1.481242
C 3.941670 -1.132179 -0.597777
C -3.174769 -0.991261 1.189625
C -3.654134 -1.239684 -1.186183
C -4.420184 -1.562837 1.514915
C -4.907331 -1.815243 -0.877108
C -5.286575 -1.975794 0.476345
C 6.338760 -1.223349 -0.813877
H -1.968811 1.620715 0.612752
H -0.021193 3.046957 -0.253865
H 0.664970 1.593696 -0.999461
H 2.472610 2.604341 0.529034
H 2.597366 -0.206969 1.794636
H 4.014139 0.746399 1.262521
H -0.658054 -0.594699 0.208340
H -1.114934 -0.431918 -1.513535
H 3.054068 0.768312 -1.115249
H 1.872658 -0.468107 -0.581677
H 3.386679 2.485378 2.908826
H 1.803666 2.023879 3.362016
H 3.761133 -1.951316 0.138976
H 3.800163 -1.573499 -1.613871
H -2.500971 -0.670937 1.994242
H -3.365494 -1.100354 -2.233892
H -4.735804 -1.698180 2.553722
H -5.580832 -2.133265 -1.684296
H -2.936852 3.768073 -1.949373
H -7.049942 -2.792936 0.066753
H 7.115018 -2.885243 -1.861518
H 5.520017 -3.116981 -1.195495
H 8.428778 -1.153286 -0.601517
H 7.595764 0.377765 -0.563131


