%chk=000138714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138714

0 1
 O   -4.997200      0.8710000      0.7276000    
 O    4.966900      0.7466000      0.9073000    
 O   -3.781000       2.356100     -0.5428000    
 O    4.453600       1.680000      -1.133300    
 N   -3.182100      -1.110000      0.3393000    
 N    2.810300     -0.8997000      0.8148000    
 C  -6.8999999E-03  -1.691500      -1.375900    
 C   -1.309500      -1.186200     -0.7690000    
 C    1.199200      -1.188400     -0.6862000    
 C   -1.814500      9.9399999E-02 -0.9252000    
 C    2.079700     -0.1827000      -1.156000    
 C   -2.136500      -1.928100     -3.9999999E-04
 C    1.675100      -1.614300      0.5342000    
 C   -2.996200      0.1281000     -0.2183000    
 C    3.066700     -2.4700001E-02 -0.2085000    
 C   -1.221400       1.219000      -1.686900    
 C    1.960200      0.5589000      -2.429300    
 C   -2.079600      -3.325800      0.4698000    
 C    1.166800      -2.634800       1.471400    
 C   -3.913600       1.212200     -5.1199999E-02
 C    4.184700      0.8669000     -0.2200000    
 C   -5.989800       1.874400      0.9676000    
 C    6.119100       1.589600       1.013800    
 C   -7.081300       1.290000       1.838600    
 C    6.827400       1.294100       2.318600    
 H   1.1600000E-02  -2.788100      -1.366500    
 H  -4.9999999E-03  -1.438900      -2.441500    
 H   -3.969700      -1.377800      0.9142000    
 H    3.373400      -1.001100       1.648400    
 H  -0.4695000       1.736500      -1.084400    
 H  -0.7653000      0.8591000      -2.611600    
 H   -1.962900       1.955700      -2.004200    
 H    1.644100       1.590700      -2.249700    
 H    1.268700      9.7900003E-02  -3.136500    
 H    2.927400      0.5924000      -2.943100    
 H   -3.064900      -3.798500      0.3896000    
 H   -1.385400      -3.935800     -0.1134000    
 H   -1.776600      -3.366800       1.520400    
 H    1.938800      -2.943000       2.184700    
 H   0.3240000      -2.239200       2.045500    
 H   0.8445000      -3.533000      0.9372000    
 H   -6.411600       2.202900      1.1500000E-02
 H   -5.526700       2.728600       1.473300    
 H    5.804100       2.638500      0.9899000    
 H    6.791300       1.392600      0.1718000    
 H   -7.858400       2.031900       2.042500    
 H   -7.539200      0.4224000       1.352300    
 H   -6.668400      0.9395000       2.790400    
 H    7.715000       1.922500       2.432900    
 H    6.158700       1.468400       3.168000    
 H    7.130000      0.2427000       2.363100    


%chk=000138714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138714

0 1
O -5.158064 0.692360 0.869092
O 5.147926 0.698248 0.847267
O -3.893762 2.475389 0.007316
O 5.109876 1.135434 -1.461478
N -3.344510 -1.159024 0.203641
N 2.773657 -0.541148 0.836885
C -0.011591 -1.563959 -1.431656
C -1.326159 -1.126225 -0.814683
C 1.235216 -1.031764 -0.743238
C -1.810388 0.228559 -0.745290
C 2.318120 -0.335627 -1.381404
C -2.301104 -1.965896 -0.222633
C 1.545903 -1.145885 0.635894
C -3.070715 0.183988 -0.102604
C 3.270938 -0.036628 -0.374927
C -1.112868 1.453895 -1.274687
C 2.424716 0.021852 -2.841806
C -2.326110 -3.454013 -0.012450
C 0.774748 -1.772157 1.763921
C -4.011974 1.240725 0.227103
C 4.551233 0.643797 -0.444002
C -6.207299 1.675101 1.255422
C 6.471622 1.375161 0.913209
C -7.317285 0.890431 1.949322
C 6.908524 1.355391 2.375416
H 0.023127 -2.671871 -1.464992
H 0.019743 -1.236580 -2.489462
H -4.205536 -1.452733 0.663251
H 3.277169 -0.449757 1.718651
H -0.122455 1.582459 -0.799608
H -0.933408 1.366171 -2.364348
H -1.715076 2.357754 -1.094057
H 1.598171 0.690984 -3.150813
H 2.371078 -0.878205 -3.483341
H 3.377315 0.535807 -3.044888
H -3.265752 -3.905084 -0.383869
H -1.494329 -3.935998 -0.551178
H -2.229578 -3.724156 1.057872
H 1.342025 -1.734379 2.711106
H -0.190853 -1.257373 1.920263
H 0.544871 -2.833546 1.553492
H -6.562030 2.187156 0.342292
H -5.752069 2.435174 1.916200
H 6.361895 2.402361 0.520266
H 7.176721 0.833362 0.256427
H -8.126519 1.577751 2.256839
H -7.747172 0.131476 1.272796
H -6.935818 0.380475 2.850935
H 7.892695 1.847798 2.479512
H 6.183863 1.893325 3.010948
H 6.999371 0.319822 2.746879


