%chk=000170945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000170945

0 1
 O   -5.352700     -0.2872000     -0.1224000    
 N   -10.14380     -0.9965000     -0.2024000    
 C    3.367700      0.9859000      0.1240000    
 C    4.659700      0.3419000     -0.3850000    
 C    2.105000      0.2338000     -0.3085000    
 C    5.924700       1.048900      0.1126000    
 C   0.8109000      0.8905000      0.1800000    
 C    7.250200      0.5012000     -0.4308000    
 C  -0.4157000      8.4299996E-02 -0.2557000    
 C    7.582600     -0.9524000     -4.5100000E-02
 C   -1.742100      0.7019000      0.1965000    
 C   -2.962400     -0.1397000     -0.1730000    
 C    7.679600      -1.145200       1.468700    
 C    8.898600      -1.373800     -0.7050000    
 C   -4.257800      0.5336000      0.2608000    
 C   -6.595200      0.2896000      0.2565000    
 C   -7.721900     -0.6361000     -0.1817000    
 C   -9.087300     -8.0700003E-02  0.2104000    
 H    3.314600       2.020100     -0.2377000    
 H    3.395900       1.034300       1.219600    
 H    4.680100     -0.7058000     -6.3800000E-02
 H    4.654000      0.3389000      -1.481700    
 H    2.155100     -0.7946000      7.0400000E-02
 H    2.085200      0.1674000      -1.403400    
 H    5.861400       2.105700     -0.1783000    
 H    5.939900       1.043400       1.208400    
 H   0.8285000      0.9698000       1.273400    
 H   0.7425000       1.909600     -0.2184000    
 H    8.058000       1.158700     -8.3200000E-02
 H    7.235400      0.5862000      -1.525100    
 H  -0.3391000     -0.9326000      0.1493000    
 H  -0.4203000     -1.0100000E-02  -1.348700    
 H    6.796400      -1.614000     -0.4273000    
 H   -1.838900       1.700000     -0.2487000    
 H   -1.719400      0.8421000       1.284500    
 H   -2.892600      -1.132300      0.2889000    
 H   -2.987600     -0.3132000      -1.256000    
 H    8.409000     -0.4583000       1.911000    
 H    7.989000      -2.167700       1.710700    
 H    6.713300     -0.9772000       1.953800    
 H    9.734000     -0.7563000     -0.3575000    
 H    9.131700      -2.419100     -0.4758000    
 H    8.835800      -1.278400      -1.794200    
 H   -4.350300       1.514900     -0.2192000    
 H   -4.263900      0.6699000       1.348700    
 H   -6.706700       1.269400     -0.2226000    
 H   -6.620400      0.4229000       1.344500    
 H   -7.664300     -0.7859000      -1.267700    
 H   -7.568600      -1.627000      0.2654000    
 H   -9.248500      0.8957000     -0.2594000    
 H   -9.140400      5.8200002E-02   1.295500    
 H   -11.05080     -0.5882000      1.9500000E-02
 H   -10.12240      -1.111600      -1.214900    


%chk=000170945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170945

0 1
O -5.430165 -0.198357 -0.102934
N -10.240008 -1.054701 -0.433011
C 3.412893 0.948622 0.147403
C 4.719658 0.274298 -0.327939
C 2.139977 0.163218 -0.241135
C 5.987309 1.067086 0.067422
C 0.833488 0.842355 0.227861
C 7.305794 0.495241 -0.509885
C -0.438528 0.060817 -0.170545
C 7.670790 -0.950834 -0.073572
C -1.745626 0.739405 0.297519
C -3.010589 -0.046259 -0.116714
C 7.834124 -1.072836 1.460474
C 8.960113 -1.414066 -0.793122
C -4.304053 0.625327 0.354012
C -6.731021 0.348516 0.298831
C -7.814194 -0.598258 -0.227287
C -9.239953 -0.104077 0.092720
H 3.355117 1.972915 -0.277571
H 3.445196 1.072838 1.250436
H 4.769431 -0.751452 0.091209
H 4.692145 0.157960 -1.432083
H 2.195438 -0.859742 0.186857
H 2.111225 0.036460 -1.343772
H 5.874528 2.112967 -0.287029
H 6.051744 1.126688 1.173009
H 0.859452 0.963731 1.331196
H 0.781538 1.867320 -0.195950
H 8.145226 1.164851 -0.224763
H 7.248828 0.522152 -1.618748
H -0.387121 -0.964225 0.252164
H -0.464213 -0.059478 -1.273700
H 6.847486 -1.626221 -0.386942
H -1.792284 1.767073 -0.120434
H -1.722023 0.852714 1.401820
H -2.973695 -1.071904 0.299012
H -3.048172 -0.150797 -1.218451
H 8.622285 -0.384179 1.823121
H 8.126809 -2.100843 1.745494
H 6.899192 -0.829529 1.997172
H 9.816762 -0.770594 -0.512010
H 9.218785 -2.455597 -0.524625
H 8.847364 -1.363514 -1.892710
H -4.389633 1.653919 -0.067535
H -4.321354 0.710600 1.465349
H -6.859359 1.372678 -0.123391
H -6.783445 0.429863 1.409411
H -7.687511 -0.698560 -1.324046
H -7.673901 -1.603536 0.208119
H -9.356178 0.938700 -0.298661
H -9.367968 -0.047212 1.191638
H -11.205074 -0.857357 -0.151898
H -10.160929 -1.219289 -1.441884


