%chk=000163911.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163911

0 1
 O   -1.232500      -1.411000     -0.6900000    
 O   -2.155200     -0.2419000       1.192700    
 O  -0.4438000       1.688000       2.393800    
 O   -1.785400       2.104600      -1.598100    
 O    1.090400      -1.947500      0.9739000    
 O   -1.632600      -2.509200       1.337900    
 O    1.398900      -1.851000      -1.658000    
 N    1.906200      0.8155000      0.8631000    
 N    2.931000      5.4000001E-03  -1.144000    
 N    4.165900      0.9954000      0.5638000    
 C   0.5552000      0.4266000      0.5256000    
 C   0.4541000      0.3353000      -1.019300    
 C  -0.9638000     -0.1728000      -1.371800    
 C  -0.4656000       1.501800      0.9792000    
 C   -1.886900       1.033400      0.5854000    
 C   -2.027400      0.8628000     -0.9393000    
 C   0.1730000     -0.8930000       1.226200    
 C   -1.243400      -1.266700      0.7466000    
 C    1.624000     -0.4463000      -1.664400    
 C   -3.438800      0.4048000      -1.330300    
 C    2.976700      0.5659000      2.6699999E-02
 H   0.5672000       1.356000      -1.417300    
 H   -1.025200     -0.3534000      -2.451200    
 H  -0.2328000       2.473200      0.5266000    
 H   -2.625800       1.745700      0.9702000    
 H   0.1638000     -0.7638000       2.316000    
 H    1.619100     -0.1743000      -2.727400    
 H    2.071100       1.197500       1.789800    
 H   -4.179100       1.158400      -1.038100    
 H   -3.521700      0.2960000      -2.417800    
 H   -3.721500     -0.5473000     -0.8715000    
 H   -1.099700       2.372600       2.609800    
 H   -1.812600       1.945400      -2.557100    
 H    1.961500      -1.658400       1.294200    
 H   -2.529500      -2.695400       1.012600    
 H    2.220500      -2.266000      -1.970700    
 H    4.207400       1.436100       1.476200    
 H    5.039300      0.8817000      6.0899999E-02


%chk=000163911-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163911

0 1
O -1.254283 -1.484790 -0.705926
O -2.179759 -0.308590 1.191039
O -0.303435 1.692281 2.393968
O -1.703066 2.175231 -1.543400
O 1.156730 -1.964104 0.904341
O -1.580095 -2.561901 1.320666
O 1.517312 -1.825179 -1.837059
N 1.915933 0.846719 0.900110
N 2.973803 0.011226 -1.131934
N 4.234418 1.051389 0.541638
C 0.563721 0.436514 0.517816
C 0.469224 0.330741 -1.036462
C -0.930332 -0.201394 -1.405293
C -0.479319 1.501094 0.946762
C -1.894089 0.998742 0.557366
C -2.025388 0.840815 -0.989206
C 0.194597 -0.911151 1.230270
C -1.196184 -1.347035 0.749162
C 1.674511 -0.383493 -1.724215
C -3.435940 0.412580 -1.410715
C 3.008371 0.600686 0.045061
H 0.506757 1.374835 -1.406734
H -0.988968 -0.460653 -2.475371
H -0.282732 2.450252 0.410867
H -2.673176 1.683680 0.936069
H 0.151758 -0.743492 2.321075
H 1.699739 -0.059837 -2.781353
H 1.996766 1.466711 1.708743
H -4.176638 1.172457 -1.103157
H -3.491399 0.287370 -2.509788
H -3.704528 -0.549321 -0.948135
H -1.010164 2.287607 2.746535
H -2.061795 2.230778 -2.464923
H 2.041959 -1.683072 1.251497
H -2.387353 -2.898040 0.852327
H 1.334425 -2.185556 -0.919278
H 4.381416 1.232788 1.531536
H 5.039202 0.887214 -0.059001


