%chk=000097777.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097777

0 1
 O    3.505100      0.4272000      -1.889500    
 O    1.650700      -2.156800       1.532600    
 N    2.563700     -0.9065000     -0.2156000    
 C   0.8609000       1.240700      0.4796000    
 C  -0.2608000      0.7863000     -0.4728000    
 C    2.153100       1.534000     -0.2822000    
 C    1.168600      0.1708000       1.526900    
 C   -1.551200      0.5345000      0.2929000    
 C   0.3952000       2.523400       1.192900    
 C    2.791800      0.3055000     -0.8909000    
 C    1.793100      -1.078900      0.9497000    
 C   -2.670800      0.1106000     -0.6607000    
 C   -3.985400     -0.1091000      9.1399997E-02
 C    3.180200      -2.112900     -0.7580000    
 C   -5.145800     -0.5122000     -0.8211000    
 C   -6.448400     -0.7567000     -7.5300001E-02
 H   2.1199999E-02 -0.1231000      -1.016200    
 H  -0.4330000       1.556700      -1.235900    
 H    2.904800       1.982200      0.3803000    
 H    1.961000       2.252500      -1.088800    
 H   0.2957000     -0.1107000       2.122300    
 H    1.900500      0.5634000       2.247100    
 H   -1.432600     -0.2614000       1.033400    
 H   -1.892200       1.432100      0.8166000    
 H   8.2000000E-03   3.261600      0.4815000    
 H  -0.3707000       2.333500       1.951500    
 H    1.230900       2.995900       1.723800    
 H   -2.386900     -0.8130000      -1.179500    
 H   -2.815800      0.8816000      -1.427200    
 H   -4.256400      0.8095000      0.6264000    
 H   -3.840900     -0.8868000      0.8517000    
 H    2.411200      -2.881400     -0.8866000    
 H    3.916000      -2.480600     -3.5599999E-02
 H    3.673500      -1.935000      -1.716400    
 H   -5.307900      0.2723000      -1.569900    
 H   -4.876700      -1.423200      -1.368800    
 H   -7.240300      -1.040400     -0.7754000    
 H   -6.768900      0.1453000      0.4556000    
 H   -6.333800      -1.563200      0.6558000    


%chk=000097777-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097777

0 1
O 3.383062 0.287080 -2.043316
O 1.705221 -2.170407 1.541411
N 2.556658 -0.941674 -0.236704
C 0.916954 1.326492 0.553554
C -0.278124 0.871732 -0.345147
C 2.169971 1.543100 -0.336311
C 1.304275 0.243756 1.595517
C -1.616004 0.587465 0.375775
C 0.580387 2.649372 1.283394
C 2.744364 0.273206 -0.956013
C 1.844291 -1.044747 0.988962
C -2.719996 0.128422 -0.605264
C -4.075375 -0.143173 0.084899
C 3.109694 -2.198007 -0.800360
C -5.177659 -0.603954 -0.896085
C -6.530403 -0.871095 -0.201565
H 0.013590 -0.037329 -0.911130
H -0.446238 1.662102 -1.106292
H 2.978637 2.007395 0.266410
H 1.963440 2.234589 -1.172032
H 0.457269 -0.037939 2.242623
H 2.090587 0.649105 2.266487
H -1.477436 -0.197569 1.146484
H -1.964129 1.496062 0.906551
H 0.291792 3.435299 0.560592
H -0.256577 2.518580 1.991906
H 1.450812 3.019153 1.857871
H -2.384956 -0.791267 -1.128846
H -2.857358 0.900774 -1.391144
H -4.413503 0.776347 0.607433
H -3.939787 -0.915319 0.870924
H 2.294346 -2.909483 -1.010542
H 3.792450 -2.664500 -0.072183
H 3.644819 -1.941604 -1.725643
H -5.310691 0.167023 -1.682681
H -4.840219 -1.523314 -1.416819
H -7.300964 -1.193175 -0.925967
H -6.902607 0.039455 0.305152
H -6.433693 -1.664252 0.563702


