%chk=000058791.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058791

0 1
 O   -2.889900     -0.2442000       1.391500    
 O   0.6408000     -0.5480000      0.7753000    
 O  -0.6682000      -1.085400       2.594500    
 N    4.753100      0.3296000     -0.4756000    
 C   -1.911500      -1.165700     -0.5521000    
 C   -3.171000     -0.8932000      -1.368300    
 C   -2.136900      -2.596700     -7.4000001E-02
 C   -1.709700     -0.1792000      0.5849000    
 C   -3.412800      -2.199100      -2.118200    
 C   -2.757300      -3.297200      -1.278900    
 C   -1.526700       1.279200      0.1868000    
 C  -0.5466000     -0.6609000       1.451700    
 C  -0.8502000       1.571500     -0.9794000    
 C   -2.043600       2.262900       1.004500    
 C    1.801000     -0.9642000       1.482200    
 C    3.009100     -0.7896000      0.6387000    
 C    3.404100      0.5423000      8.4200002E-02
 C    4.920800      -1.127000     -0.6344000    
 C  -0.6828000       2.907400      -1.344200    
 C   -1.876100       3.598700      0.6395000    
 C    3.867600      -1.729700      0.2336000    
 C   -1.195700       3.920900     -0.5348000    
 C    4.982500       1.067700      -1.707500    
 H   -1.044800      -1.186300      -1.226400    
 H   -3.057400     -5.4900002E-02  -2.062200    
 H   -4.039100     -0.6825000     -0.7330000    
 H   -2.842900      -2.665900      0.7596000    
 H   -1.209600      -3.089600      0.2354000    
 H   -2.945300      -2.161900      -3.109100    
 H   -4.481600      -2.382900      -2.266700    
 H   -1.983200      -3.802300      -1.868200    
 H   -3.480900      -4.058100     -0.9689000    
 H   -2.859900      -1.042500       1.943800    
 H  -0.4224000      0.8111000      -1.622400    
 H   -2.561100       2.045900       1.933400    
 H    1.908900     -0.3634000       2.393100    
 H    1.687800      -2.015600       1.772900    
 H    2.677500      0.8516000     -0.6771000    
 H    3.448400       1.304700      0.8682000    
 H    5.920300      -1.424200     -0.3032000    
 H    4.771300      -1.462800      -1.667500    
 H    3.799600      -2.781700      0.4682000    
 H  -0.1487000       3.158700      -2.256000    
 H   -2.271300       4.388400       1.271800    
 H   -1.063400       4.961100     -0.8178000    
 H    4.875400       2.143900      -1.532900    
 H    6.003700      0.9019000      -2.067200    
 H    4.286200      0.7773000      -2.502400    


%chk=000058791-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058791

0 1
O -2.183071 0.009401 1.593908
O 0.661963 -1.601896 -0.033710
O 0.282563 -0.858198 2.142671
N 4.517595 0.738779 0.378378
C -2.204330 -1.358657 -0.437796
C -3.588344 -0.824626 -0.885302
C -2.547562 -2.675675 0.313610
C -1.391308 -0.336508 0.413152
C -4.319158 -2.106972 -1.353406
C -3.843651 -3.225838 -0.369682
C -1.055165 0.939702 -0.401828
C -0.069404 -0.956052 0.937985
C -0.234924 0.884928 -1.558369
C -1.609956 2.180777 -0.007793
C 2.032502 -2.123273 0.371435
C 3.085602 -1.103383 0.069278
C 3.183564 0.231021 0.795316
C 4.939141 0.037722 -0.863282
C 0.025747 2.056063 -2.303764
C -1.347244 3.351358 -0.754719
C 4.068654 -1.203443 -0.864676
C -0.528393 3.295068 -1.905455
C 4.696460 2.192392 0.400280
H -1.600424 -1.591658 -1.336675
H -3.518741 -0.054478 -1.673286
H -4.101186 -0.379170 -0.012618
H -2.749106 -2.433604 1.372920
H -1.714349 -3.400940 0.280200
H -4.013407 -2.354602 -2.388426
H -5.417510 -1.988094 -1.357075
H -3.654961 -4.174066 -0.905148
H -4.618621 -3.435207 0.389866
H -1.565142 -0.005382 2.377713
H 0.209795 -0.066138 -1.869413
H -2.251644 2.205964 0.877452
H 1.980921 -2.365337 1.448245
H 2.147111 -3.035306 -0.233190
H 2.345066 0.904521 0.478365
H 3.111302 0.127193 1.895977
H 6.024502 -0.189958 -0.849714
H 4.746131 0.637802 -1.792639
H 4.224043 -2.046032 -1.545203
H 0.662128 2.000640 -3.194494
H -1.785366 4.305319 -0.439455
H -0.325603 4.202930 -2.484935
H 4.460232 2.584134 1.405865
H 5.750108 2.445680 0.183399
H 4.050937 2.733198 -0.338559


