%chk=000114250.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114250

0 1
 O  -0.2119000      -2.393900     -0.2718000    
 O    5.092900      0.9983000     -0.2196000    
 N   -3.699700     -9.8499998E-02  0.3757000    
 C   -3.794500      0.8988000     -0.6996000    
 C   -4.954000     -0.8518000      0.5137000    
 C   -4.930100       1.888800     -0.4353000    
 C   -6.127400      8.1000000E-02  0.8179000    
 C   -6.259900       1.168900     -0.2417000    
 C   -2.580600      -1.008300      0.1321000    
 C   -1.251400     -0.2535000      0.1152000    
 C  -6.8899997E-02  -1.183900     -0.1121000    
 C    1.305800     -0.6027000     -0.1402000    
 C    1.451900      0.7535000      4.0700000E-02
 C    2.373600      -1.445900     -0.3461000    
 C    2.736400       1.296400      1.4100000E-02
 C    3.658200     -0.9031000     -0.3726000    
 C    3.839700      0.4683000     -0.1924000    
 C    6.161900      0.1611000      0.2190000    
 C    7.258000       1.026400      0.8032000    
 H   -3.943300      0.4156000      -1.674100    
 H   -2.893800       1.514400     -0.7679000    
 H   -4.868000      -1.569900       1.338200    
 H   -5.167300      -1.425800     -0.3977000    
 H   -5.010800       2.592900      -1.271400    
 H   -4.701800       2.480700      0.4604000    
 H   -5.982500      0.5449000       1.801800    
 H   -7.056300     -0.4980000      0.8712000    
 H   -7.036800       1.884600      4.8500001E-02
 H   -6.574000      0.7186000      -1.191400    
 H   -2.714700      -1.557900     -0.8094000    
 H   -2.539300      -1.759000      0.9322000    
 H   -1.219300      0.4605000     -0.7122000    
 H   -1.118500      0.2644000       1.071800    
 H   0.6256000       1.435400      0.2039000    
 H    2.253400      -2.514600     -0.4945000    
 H    2.872300       2.365400      0.1548000    
 H    4.487100      -1.578200     -0.5639000    
 H    5.839600     -0.5354000       1.003200    
 H    6.550900     -0.4030000     -0.6357000    
 H    8.100500      0.4165000       1.140900    
 H    7.618600       1.745700      6.0400002E-02
 H    6.880200       1.607600       1.651000    


%chk=000114250-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114250

0 1
O -0.251254 -2.428616 -0.259269
O 5.192470 1.002605 0.385978
N -3.788897 -0.076181 0.144273
C -4.036021 0.936953 -0.913740
C -5.021864 -0.858704 0.425255
C -5.155100 1.916478 -0.502049
C -6.169768 0.059553 0.888972
C -6.456689 1.152802 -0.165982
C -2.637694 -0.961877 -0.166853
C -1.290930 -0.235990 -0.000777
C -0.088323 -1.180315 -0.090247
C 1.286279 -0.599197 0.032581
C 1.523559 0.787188 0.261795
C 2.406535 -1.464771 -0.079398
C 2.829886 1.286359 0.374591
C 3.722814 -0.981346 0.029080
C 3.937337 0.405110 0.258498
C 6.392732 0.142381 0.278047
C 7.603622 1.052719 0.458265
H -4.319213 0.439642 -1.881275
H -3.101798 1.498214 -1.098405
H -4.788062 -1.600425 1.211628
H -5.354615 -1.429970 -0.482992
H -5.327689 2.642408 -1.320292
H -4.820010 2.485126 0.387090
H -5.879021 0.535208 1.845700
H -7.075190 -0.549355 1.077124
H -7.234659 1.850961 0.197209
H -6.851712 0.677784 -1.088191
H -2.705414 -1.398680 -1.194065
H -2.658356 -1.817331 0.531718
H -1.168143 0.563093 -0.758727
H -1.286924 0.275020 0.983498
H 0.683732 1.482913 0.357190
H 2.213486 -2.528869 -0.253487
H 3.024522 2.348134 0.552855
H 4.562665 -1.675942 -0.063545
H 6.353101 -0.639399 1.063442
H 6.400443 -0.350237 -0.715413
H 8.534954 0.462507 0.383716
H 7.622201 1.835228 -0.319135
H 7.578807 1.544115 1.445638


