%chk=000173878.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173878

0 1
 O   -3.226000     -0.7687000     -0.3251000    
 O   -3.815700     -0.3257000      -2.514400    
 N   -1.125100       2.603700       1.073000    
 N    2.744900      -1.869700     -0.1107000    
 C   -1.354700      0.1105000      0.9552000    
 C  -0.3589000       1.341300       1.085800    
 C   -2.248800      0.2695000     -0.2915000    
 C   -2.950600       1.642200     -0.3136000    
 C   0.8554000       1.309500      7.3600002E-02
 C  -0.5812000      -1.196700      0.9193000    
 C   -1.925800       2.774300     -0.1440000    
 C    1.484400     -4.1999999E-02  5.1100001E-02
 C   0.7392000      -1.164500      0.4600000    
 C    2.730000     -0.5029000     -0.3056000    
 C    1.525900      -2.296800      0.3695000    
 C   -4.074800       1.756600      0.7284000    
 C  -0.3000000       3.780800       1.328700    
 C    3.918300      0.2086000     -0.8116000    
 C   -1.086600      -2.448100       1.291000    
 C    1.035400      -3.551500      0.7328000    
 C  -0.2901000      -3.599500       1.197700    
 C    5.197700     -0.6787000      -1.056600    
 C    3.621600      0.8433000      -2.217500    
 C    4.418600       1.278400      0.1966000    
 C   -4.074200     -0.7476000      -1.395300    
 C   -5.399200      -1.327300      -1.002300    
 C    4.540100       2.601000      2.5500000E-02
 H   -1.982000      7.9999998E-02   1.856700    
 H   8.3300002E-02   1.247300       2.090300    
 H   -1.620800      0.1729000      -1.188600    
 H   -3.426000       1.795500      -1.290000    
 H    1.596600       2.058000      0.3684000    
 H   0.5220000       1.550500     -0.9414000    
 H   -1.287600       2.830700      -1.034100    
 H   -2.469000       3.727300     -9.7499996E-02
 H   -3.702500       1.636100       1.750300    
 H   -4.547500       2.743400      0.6674000    
 H   -4.863100       1.017800      0.5731000    
 H   0.2984000       3.648200       2.236800    
 H  -0.9350000       4.657200       1.500800    
 H   0.3738000       4.013900      0.4972000    
 H   -2.106700      -2.537100       1.655600    
 H    3.530200      -2.480900     -0.2852000    
 H    1.642900      -4.446700      0.6653000    
 H  -0.7104000      -4.558500       1.493000    
 H    4.999000      -1.454400      -1.805800    
 H    6.042300     -7.8500003E-02  -1.416800    
 H    5.516200      -1.181500     -0.1351000    
 H    3.317000      6.8599999E-02  -2.932000    
 H    4.501500       1.349200      -2.631700    
 H    2.806000       1.573500      -2.166600    
 H    4.703800      0.8873000       1.174000    
 H   -6.096300     -0.5242000     -0.7553000    
 H   -5.289700      -1.997600     -0.1448000    
 H   -5.791200      -1.918100      -1.835000    
 H    4.907100       3.222300      0.8358000    
 H    4.280500       3.094800     -0.9027000    


%chk=000173878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173878

0 1
O -3.344764 -0.538443 -0.244015
O -3.406763 -0.502121 -2.579398
N -1.054425 2.765521 1.103589
N 2.600549 -1.942158 -0.143720
C -1.403436 0.303374 0.989905
C -0.342493 1.462288 1.078439
C -2.314210 0.548205 -0.237559
C -3.012033 1.930534 -0.199854
C 0.800937 1.378672 -0.008338
C -0.725301 -1.061568 0.955612
C -1.908869 3.014034 -0.077413
C 1.397880 -0.006956 -0.015589
C 0.594235 -1.101570 0.453691
C 2.639602 -0.541837 -0.382655
C 1.350836 -2.308385 0.372168
C -4.058489 2.064973 0.929207
C -0.220295 3.915712 1.488901
C 3.891010 0.154358 -0.927096
C -1.282589 -2.283851 1.380468
C 0.789989 -3.537688 0.786760
C -0.532084 -3.497762 1.289572
C 5.045864 -0.862302 -1.177429
C 3.553214 0.861085 -2.267245
C 4.370353 1.134201 0.153800
C -3.786254 -0.990406 -1.489653
C -4.750780 -2.144471 -1.315914
C 4.538845 2.474814 0.035648
H -2.035752 0.381431 1.894063
H 0.155542 1.347698 2.062612
H -1.738008 0.452628 -1.177951
H -3.514443 2.068263 -1.178000
H 1.566652 2.143717 0.218416
H 0.386788 1.630982 -1.006299
H -1.323809 3.063553 -1.030868
H -2.390029 4.002431 0.050339
H -3.563629 2.153357 1.911977
H -4.668371 2.974213 0.774171
H -4.737657 1.195139 0.949428
H 0.339381 3.672726 2.410621
H -0.868891 4.785294 1.702719
H 0.521303 4.230306 0.713690
H -2.303115 -2.309207 1.778037
H 3.372524 -2.576501 -0.333155
H 1.340854 -4.483424 0.735125
H -0.996445 -4.431713 1.627316
H 4.758259 -1.616550 -1.934854
H 5.932219 -0.326211 -1.557408
H 5.349136 -1.380600 -0.247811
H 3.217668 0.117860 -3.011909
H 4.441513 1.381157 -2.671177
H 2.744094 1.600842 -2.141885
H 4.591501 0.653545 1.120176
H -5.522724 -1.895445 -0.568672
H -4.201576 -3.027697 -0.942897
H -5.218779 -2.387912 -2.280707
H 4.896687 3.074703 0.880169
H 4.331180 3.014163 -0.895048


