%chk=000130389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130389

0 1
 O    3.069700       1.175800       2.357200    
 O    5.954100       1.980800     -0.2517000    
 O    3.995100      -4.558100      -1.112300    
 O    5.887200      -3.531800      -1.836000    
 N    3.732100      0.4961000      0.2413000    
 N   -2.031500       3.025500     -0.9921000    
 N   -3.095900      1.3500000E-02 -0.8946000    
 N    6.991800      0.9783000       1.535600    
 N   -5.661500      0.6336000     -6.3600004E-02
 N   -5.879900      -1.469200      0.8809000    
 N   -4.090400      -3.061800      0.7717000    
 N   -2.074200      -2.480500     -0.3143000    
 N   -6.103800      -3.600000       1.839000    
 C    5.001900     -6.6200003E-02  0.6346000    
 C    5.405300      -1.210200     -0.2999000    
 C    4.435800      -2.392500     -0.2469000    
 C  -0.8183000       2.541800     -0.4598000    
 C   -2.806800       2.212700      -1.908200    
 C    1.582700       1.586300      0.5913000    
 C    2.861600       1.077800       1.150700    
 C    6.003800       1.077400      0.5803000    
 C  -0.1503000       1.491600      -1.089400    
 C  -0.2858000       3.114500      0.6953000    
 C    1.050200       1.013900     -0.5639000    
 C   0.9146000       2.636700       1.220800    
 C   -3.638200       1.213600      -1.152300    
 C   -2.511900       4.347100     -0.6410000    
 C    4.873900      -3.522300      -1.151200    
 C   -4.906500       1.519600     -0.7413000    
 C   -3.852200     -0.8712000     -0.2169000    
 C   -5.148300     -0.5722000      0.2086000    
 C   -3.386900      -2.133500      9.8700002E-02
 C   -5.317500      -2.666900       1.129200    
 H    4.922600     -0.4321000       1.665400    
 H    6.413600      -1.554100     -3.4400001E-02
 H    5.477200     -0.8436000      -1.333000    
 H    3.539300      0.5506000     -0.7538000    
 H    4.378800      -2.778900      0.7766000    
 H    3.436600      -2.078000     -0.5669000    
 H   -3.485600       2.849500      -2.492600    
 H   -2.213900       1.719100      -2.684000    
 H  -0.5031000       1.008800      -1.992800    
 H  -0.7787000       3.926800       1.220900    
 H    1.525800      0.1774000      -1.067900    
 H    1.315500       3.096700       2.120300    
 H   -1.724200       5.100600     -0.7536000    
 H   -2.886500       4.365600      0.3882000    
 H   -3.340000       4.662000      -1.285700    
 H   -5.370500       2.479600     -0.9328000    
 H    7.726800       1.674800       1.598800    
 H    7.028800      0.2158000       2.204400    
 H    4.274500      -5.296300      -1.694700    
 H   -1.749900      -3.411800     -8.5199997E-02
 H   -1.691700      -2.022600      -1.132400    
 H   -5.723800      -4.512600       2.048800    
 H   -7.037500      -3.344300       2.129400    


%chk=000130389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130389

0 1
O 3.968888 2.079902 1.776164
O 7.204610 0.271032 -0.959355
O 3.997828 -4.893348 1.034534
O 3.886535 -3.968134 -1.090139
N 3.908987 0.441482 0.134733
N -1.976168 3.246882 -0.595201
N -3.382939 0.033610 -1.389755
N 6.480105 1.977815 0.462692
N -4.857569 0.354619 1.056528
N -5.355549 -1.971058 1.054313
N -4.508140 -3.418037 -0.770767
N -3.212774 -2.517400 -2.518995
N -5.794249 -4.260444 0.981350
C 5.224976 -0.130807 0.495945
C 5.306623 -1.592319 0.021423
C 4.385650 -2.516443 0.850393
C -0.703491 2.787567 -0.238894
C -2.845121 2.444472 -1.475045
C 1.941411 1.883954 0.449723
C 3.322844 1.485072 0.836254
C 6.403226 0.718609 -0.085401
C -0.213478 1.518089 -0.690389
C 0.158367 3.575252 0.591410
C 1.078187 1.087264 -0.351546
C 1.444009 3.126405 0.923152
C -3.501021 1.245865 -0.794817
C -2.457241 4.545037 -0.097082
C 4.079539 -3.818268 0.137556
C -4.240604 1.376445 0.430046
C -3.998932 -1.024259 -0.772539
C -4.748159 -0.897896 0.455678
C -3.911448 -2.358091 -1.357574
C -5.200518 -3.164850 0.409542
H 5.296489 -0.069219 1.599902
H 6.355758 -1.926031 0.086977
H 5.041904 -1.655307 -1.050733
H 3.487844 0.119154 -0.738906
H 4.810978 -2.736221 1.843673
H 3.411976 -2.012330 1.024291
H -3.630019 3.114485 -1.871402
H -2.280471 2.066627 -2.348249
H -0.849766 0.854328 -1.281202
H -0.177006 4.541181 0.977998
H 1.388722 0.091721 -0.692998
H 2.096369 3.730259 1.562599
H -1.798718 5.375800 -0.419823
H -2.518312 4.566935 1.009525
H -3.465604 4.737748 -0.496175
H -4.322870 2.357743 0.913064
H 7.205633 2.614876 0.133733
H 5.762714 2.277433 1.144391
H 3.765034 -5.721361 0.531430
H -3.137419 -3.439418 -2.942564
H -2.779059 -1.695202 -2.938505
H -5.701352 -5.168504 0.534279
H -6.313209 -4.139517 1.847560


