%chk=000043442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043442

0 1
 O  -0.5976000     -2.1000000E-02  -1.106800    
 O   0.2461000      -2.024200     -0.3957000    
 N   -3.901500     -0.5882000     -0.6736000    
 N    1.565600     -9.5299996E-02 -0.5395000    
 C   -4.679100      0.2386000      0.2536000    
 C   -1.888200     -0.6405000      -1.280000    
 C   -2.652300      -1.029300     -6.3999998E-03
 C   -3.080200      0.2912000      -1.541300    
 C   -5.535500     -0.6895000       1.158900    
 C   -5.642500       1.175700     -0.5263000    
 C   -3.760400       1.042300       1.091400    
 C   -6.373400      2.1400001E-02   2.220900    
 C   -6.619200      0.4842000      -1.475600    
 C   0.4054000     -0.8367000     -0.6502000    
 C   -3.016500       1.695600       1.771500    
 C    2.839100     -0.5316000     -0.1084000    
 C    3.925900      0.3450000     -5.0200000E-02
 C    5.177400     -0.1489000      0.3891000    
 C    2.960100      -1.867400      0.2527000    
 C    3.810400       1.696600     -0.4139000    
 C    5.293000      -1.500400      0.7531000    
 C    4.190600      -2.352900      0.6849000    
 C    6.276300      0.7232000      0.4517000    
 C    4.912900       2.548800     -0.3458000    
 C    6.143500       2.063100      8.6000003E-02
 H   -1.836600      -1.452200      -2.020500    
 H   -2.241200     -0.5809000      0.8998000    
 H   -2.644300      -2.110900      0.1844000    
 H   -3.410200      0.3139000      -2.585800    
 H   -2.886300       1.326000      -1.234500    
 H   -6.191900      -1.329900      0.5573000    
 H   -4.870400      -1.381000       1.696400    
 H   -6.217600       1.799300      0.1699000    
 H   -5.072400       1.906100      -1.116300    
 H   -6.862500     -0.7237000       2.857900    
 H   -7.165400      0.6292000       1.775100    
 H   -5.765900      0.6567000       2.871300    
 H   -7.191700       1.238200      -2.026600    
 H   -7.339800     -0.1359000     -0.9357000    
 H   -6.102300     -0.1384000      -2.211300    
 H   -2.355700       2.273900       2.373700    
 H    1.465000      0.8770000     -0.8058000    
 H    2.170400      -2.601700      0.2342000    
 H    2.882100       2.140300     -0.7586000    
 H    6.245200      -1.901500       1.093800    
 H    4.295500      -3.396000      0.9698000    
 H    7.247800      0.3655000      0.7864000    
 H    4.811000       3.592300     -0.6299000    
 H    7.001300       2.727200      0.1389000    


%chk=000043442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043442

0 1
O -0.552186 -0.224976 -0.689037
O 0.464294 -2.357667 -0.792871
N -3.893920 -0.381078 -0.419197
N 1.676884 -0.350586 -0.396905
C -4.867311 0.527585 0.264953
C -1.869591 -0.836093 -0.903268
C -2.758432 -1.005121 0.365186
C -2.916515 0.177590 -1.433145
C -5.601836 -0.320313 1.351999
C -5.844143 1.095243 -0.817567
C -4.160928 1.674289 0.916615
C -6.695207 0.436761 2.130819
C -6.701536 0.026007 -1.523574
C 0.549087 -1.115440 -0.639240
C -3.495438 2.588624 1.412851
C 3.020540 -0.791041 -0.261986
C 4.031334 0.207027 0.034726
C 5.407997 -0.229067 0.169056
C 3.375298 -2.141552 -0.408242
C 3.745440 1.603844 0.204723
C 5.737097 -1.615074 0.012131
C 4.735554 -2.543813 -0.268884
C 6.423964 0.740932 0.460685
C 4.757157 2.525002 0.489125
C 6.112591 2.091791 0.618261
H -1.755567 -1.757219 -1.494646
H -2.385565 -0.364415 1.192915
H -2.949071 -2.029547 0.722272
H -3.235572 0.081131 -2.483829
H -2.597018 1.219463 -1.218508
H -6.026499 -1.207025 0.846569
H -4.843183 -0.694252 2.066722
H -6.488604 1.855645 -0.339455
H -5.235961 1.639185 -1.566470
H -7.118950 -0.210202 2.920226
H -7.527724 0.749548 1.474938
H -6.285754 1.340187 2.617689
H -7.266371 0.478363 -2.359075
H -7.434723 -0.432051 -0.835428
H -6.065245 -0.780867 -1.926219
H -2.944268 3.395684 1.859689
H 1.486286 0.647602 -0.305836
H 2.600656 -2.878555 -0.627857
H 2.722149 1.989733 0.120228
H 6.781590 -1.929349 0.116614
H 4.983914 -3.603817 -0.388305
H 7.460059 0.395652 0.558779
H 4.510354 3.584674 0.614834
H 6.898871 2.820859 0.840940


