%chk=000033205.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033205

0 1
 O   -1.055200       1.436700     -0.1553000    
 N   -2.758800     -0.8113000      9.6500002E-02
 N    4.240700      -2.557200      0.1828000    
 C   3.7000000E-03   2.277500      0.2819000    
 C   -3.250300      0.5611000      0.2138000    
 C   -2.158600       1.479200      0.7400000    
 C    1.189600       2.168700     -0.6838000    
 C   -3.799400      -1.681800     -0.4493000    
 C   -2.308700      -1.306000       1.397100    
 C    1.999200      0.9146000     -0.4539000    
 C  -0.5179000       3.706800      0.3589000    
 C   -4.279300      -1.182600      -1.801600    
 C   -1.737900      -2.709200       1.283200    
 C    3.059400      0.9457000      0.4375000    
 C    1.666700     -0.2429000      -1.138800    
 C    3.807300     -0.2124000      0.6496000    
 C    2.414600      -1.401000     -0.9265000    
 C    3.484900      -1.385800     -3.2299999E-02
 H   0.3235000       1.965100       1.285100    
 H   -4.132800      0.6221000      0.8629000    
 H   -3.524200      0.9573000     -0.7696000    
 H   -2.608900       2.477600      0.7410000    
 H   -1.856300       1.267000       1.770200    
 H    1.858300       3.032000     -0.5719000    
 H   0.8378000       2.187100      -1.723700    
 H   -3.405400      -2.687500     -0.6284000    
 H   -4.654300      -1.777100      0.2321000    
 H   -1.481900     -0.7050000       1.785600    
 H   -3.111600      -1.289800       2.144800    
 H   -1.150100       3.867500       1.238100    
 H   -1.101600       3.971000     -0.5298000    
 H   0.3082000       4.420300      0.4519000    
 H   -4.938200     -0.3128000      -1.718300    
 H   -3.443600     -0.9379000      -2.466400    
 H   -4.865300      -1.967600      -2.293400    
 H   -2.515100      -3.468500       1.153200    
 H   -1.019200      -2.789700      0.4602000    
 H   -1.205100      -2.964900       2.206200    
 H    3.316600       1.853800      0.9750000    
 H   0.8337000     -0.2653000      -1.835700    
 H    4.638600     -0.1880000       1.349600    
 H    2.152500      -2.309300      -1.463100    
 H    5.017400      -2.546700      0.8305000    
 H    4.007600      -3.407900     -0.3119000    


%chk=000033205-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033205

0 1
O -1.334877 1.812444 -0.044301
N -2.718584 -0.900078 0.342126
N 3.801782 -2.718122 -0.199751
C -0.146915 2.576130 0.410789
C -3.287092 0.467510 0.445015
C -2.301442 1.499924 1.010126
C 0.952069 2.317152 -0.644922
C -3.268275 -1.669110 -0.808034
C -2.800118 -1.636946 1.632010
C 1.686197 0.987336 -0.510197
C -0.485815 4.073255 0.550309
C -2.691781 -1.214919 -2.162703
C -1.763367 -2.769873 1.754532
C 3.102990 0.941059 -0.551878
C 0.992061 -0.244539 -0.357643
C 3.812799 -0.273962 -0.450595
C 1.688564 -1.464598 -0.251320
C 3.112109 -1.503303 -0.299594
H 0.178672 2.169300 1.394539
H -4.216078 0.479275 1.069919
H -3.576186 0.814659 -0.562658
H -2.859072 2.414141 1.315391
H -1.775764 1.100034 1.905500
H 1.686591 3.144116 -0.595567
H 0.454309 2.393538 -1.633623
H -3.011904 -2.733229 -0.655457
H -4.387556 -1.616152 -0.834258
H -2.614346 -0.909007 2.444544
H -3.830589 -2.043874 1.805583
H -1.334450 4.233575 1.239955
H -0.755755 4.497993 -0.433566
H 0.381433 4.633332 0.947172
H -2.901117 -0.149374 -2.363832
H -1.595867 -1.343004 -2.173485
H -3.130302 -1.809468 -2.986378
H -1.912569 -3.554074 0.990018
H -0.744546 -2.362141 1.635130
H -1.838846 -3.253610 2.746548
H 3.668213 1.875476 -0.667106
H -0.104249 -0.243367 -0.315642
H 4.909853 -0.273748 -0.486823
H 1.126478 -2.401299 -0.137282
H 4.815660 -2.746039 -0.242123
H 3.298280 -3.593517 -0.096471


