%chk=000111759.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111759

0 1
 O   0.8847000      -2.829600      0.2229000    
 O  -0.9101000      -1.613900      -1.303200    
 N   -4.833800      0.5913000     -0.3747000    
 N   -1.139800      0.6348000     -0.7862000    
 N   -8.054800      0.1782000       1.453900    
 C   -3.434400      0.4523000      1.3200000E-02
 C   -2.526500      0.7553000      -1.175100    
 C   0.9694000     -0.5233000     -0.4219000    
 C    3.024600      0.7371000     -9.7300000E-02
 C    3.638200     -0.4167000      0.4461000    
 C   -5.714100      0.3151000      0.7514000    
 C    1.689400      0.6670000     -0.5267000    
 C  -0.4137000     -0.5573000     -0.8770000    
 C    1.572700      -1.657900      0.1126000    
 C    2.898500      -1.606400      0.5442000    
 C   -7.172100      0.4723000      0.3302000    
 C    3.764500       1.926700     -0.1953000    
 C    4.973500     -0.3467000      0.8756000    
 C    5.090100       1.978200      0.2364000    
 C    5.693500      0.8437000      0.7708000    
 H   -3.238000     -0.5646000      0.3758000    
 H   -3.197600       1.143300      0.8319000    
 H   -2.676000       1.780800      -1.530000    
 H   -2.726800      6.9300003E-02  -2.005700    
 H   -5.043700     -4.5600001E-02  -1.142800    
 H   -5.497000       1.008400       1.573800    
 H   -5.546700     -0.7051000       1.120100    
 H    1.246200       1.555500     -0.9718000    
 H  -0.7178000       1.456500     -0.3666000    
 H    3.363500      -2.498200      0.9612000    
 H   -7.408200     -0.2124000     -0.4923000    
 H   -7.361600       1.493100     -2.1100000E-02
 H    3.313800       2.826300     -0.6095000    
 H    5.465600      -1.221100       1.296700    
 H    5.651200       2.904600      0.1551000    
 H    6.725600      0.8845000       1.106600    
 H   -9.021900      0.3356000       1.173800    
 H   -7.868900      0.8288000       2.216200    
 H    1.465000      -3.504200      0.6154000    


%chk=000111759-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111759

0 1
O 0.653785 -2.447720 0.659525
O -0.857339 -1.113770 -1.638288
N -4.923171 0.511466 -0.242431
N -1.146098 0.798990 -0.337159
N -8.427762 0.030091 1.103034
C -3.540322 0.295747 0.229944
C -2.549742 0.998590 -0.728222
C 1.036655 -0.284049 -0.326813
C 3.279276 0.765733 -0.250360
C 3.805249 -0.404959 0.421401
C -5.983842 0.066877 0.689733
C 1.890560 0.787808 -0.603994
C -0.395064 -0.265918 -0.818199
C 1.570887 -1.435113 0.352908
C 2.919704 -1.490478 0.716321
C -7.378202 0.453693 0.155236
C 4.157887 1.858709 -0.544649
C 5.194610 -0.431812 0.776576
C 5.507627 1.805695 -0.187226
C 6.027383 0.650145 0.478996
H -3.251620 -0.778740 0.313957
H -3.452448 0.737307 1.242605
H -2.779089 2.078295 -0.766863
H -2.664133 0.580414 -1.745119
H -5.059463 0.103060 -1.178942
H -5.813520 0.574770 1.661554
H -5.978051 -1.029653 0.893399
H 1.496121 1.660949 -1.137906
H -0.741189 1.389174 0.391496
H 3.313668 -2.369774 1.243762
H -7.554972 -0.075129 -0.802754
H -7.368841 1.544661 -0.074208
H 3.755036 2.739684 -1.058796
H 5.597616 -1.315502 1.285690
H 6.173622 2.644488 -0.416047
H 7.087351 0.617872 0.754519
H -9.369359 -0.023049 0.706271
H -8.413806 0.531800 1.996108
H 1.107497 -3.224650 1.071647


