%chk=000161043.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161043

1 1
 O   0.6138000       1.471900     -0.3524000    
 O   -4.332000     -0.4334000      0.3220000    
 N    5.646700      0.6102000      0.2807000    
 N    1.680000     -0.9101000     -0.3451000    
 N   -3.519200      -2.913100      0.3597000    
 C    4.380500     -0.1138000      0.5514000    
 C    4.096400      -1.066800     -0.6028000    
 C    5.993100       1.556000       1.439200    
 C    6.811200     -0.3744000      0.1048000    
 C    5.533400       1.448100      -1.000700    
 C    2.779900      -1.818100     -0.4229000    
 C   0.3444000      -1.339000     -0.1688000    
 C  -0.7395000     -0.4562000     -9.1399997E-02
 C   -2.032200     -0.9542000      8.4299996E-02
 C   -2.241200      -2.335100      0.1820000    
 C  -0.5047000      0.9984000     -0.1965000    
 C   0.1317000      -2.714400     -7.0799999E-02
 C   -1.657200       1.918600     -0.1126000    
 C   -3.184600     -3.3900000E-02  0.1685000    
 C   -2.949900       1.420600      6.3400000E-02
 C   -1.158400      -3.211400      0.1041000    
 C   -1.448200       3.299600     -0.2104000    
 C   -4.033600       2.303500      0.1416000    
 C   -2.531000       4.175900     -0.1318000    
 C   -3.820900       3.678800      4.3699998E-02
 C   -3.858500      -4.207700     -0.1392000    
 H    3.591100      0.6347000      0.6802000    
 H    4.492500     -0.6632000       1.493900    
 H    4.030800     -0.5427000      -1.560900    
 H    4.873600      -1.831800     -0.6955000    
 H    6.100300      0.9554000       2.347200    
 H    6.929600       2.071600       1.206800    
 H    5.175200       2.274400       1.546900    
 H    6.801200      -1.076300      0.9438000    
 H    6.723900     -0.8919000     -0.8536000    
 H    7.743300      0.2000000      0.1072000    
 H    4.611400       2.034800     -0.9507000    
 H    6.400500       2.114900      -1.046900    
 H    5.547900      0.7983000      -1.878600    
 H    2.660800      -2.497200      -1.276100    
 H    2.853000      -2.421100      0.4907000    
 H    1.833700      7.1800001E-02 -0.5374000    
 H   0.9315000      -3.446400     -0.1218000    
 H   -1.275900      -4.288000      0.1876000    
 H  -0.4533000       3.714500     -0.3474000    
 H   -5.049900       1.943700      0.2783000    
 H   -4.281900      -2.289300      0.5945000    
 H   -2.368200       5.247100     -0.2076000    
 H   -4.662100       4.363300      0.1045000    
 H   -3.395900      -5.003700      0.4530000    
 H   -3.575900      -4.324400      -1.190800    
 H   -4.942100      -4.352200     -7.4900001E-02


%chk=000161043-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161043

1 1
O 1.254060 1.059941 -0.517359
O -4.097828 -0.187946 0.276848
N 5.070110 0.832987 0.339081
N 1.837427 -1.409486 -0.672311
N -3.566968 -2.706040 0.221404
C 4.342437 -0.522484 0.546107
C 4.275448 -1.443710 -0.692809
C 5.007053 1.595423 1.663447
C 6.527246 0.601875 -0.044924
C 4.373163 1.681121 -0.733392
C 2.986252 -2.309984 -0.658011
C 0.518675 -1.728041 -0.431532
C -0.448803 -0.664318 -0.287808
C -1.840957 -0.991219 -0.068892
C -2.253530 -2.374606 0.018688
C -0.011218 0.733458 -0.337300
C 0.084696 -3.092866 -0.324131
C -1.011460 1.802855 -0.175712
C -2.838032 0.069773 0.084913
C -2.387574 1.480862 0.024203
C -1.248689 -3.403791 -0.108345
C -0.612967 3.166119 -0.232229
C -3.339456 2.522267 0.167191
C -1.563949 4.191404 -0.087888
C -2.932956 3.868138 0.113295
C -4.083311 -4.071582 0.329560
H 3.324845 -0.254272 0.877210
H 4.866282 -1.018758 1.381662
H 4.244680 -0.856152 -1.629162
H 5.156518 -2.105489 -0.746814
H 5.446143 0.976486 2.460909
H 5.571821 2.535189 1.566254
H 3.953778 1.815812 1.894118
H 7.029913 0.045249 0.761199
H 6.569530 0.025143 -0.980069
H 7.018875 1.576079 -0.190486
H 3.287795 1.709506 -0.537034
H 4.801265 2.695078 -0.697249
H 4.561833 1.245636 -1.724997
H 2.999660 -2.988422 -1.535613
H 2.976358 -2.954710 0.246532
H 1.959581 -0.370276 -0.777324
H 0.813669 -3.901698 -0.435586
H -1.549094 -4.453287 -0.041765
H 0.444041 3.392444 -0.399070
H -4.386581 2.244067 0.318149
H -4.195475 -1.873366 0.298493
H -1.253221 5.240395 -0.134737
H -3.672122 4.668331 0.223385
H -3.635550 -4.619623 1.181453
H -3.907911 -4.656543 -0.594194
H -5.170402 -4.020668 0.495045


