%chk=000040800.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040800

0 1
 O   0.8046000       2.071300       1.901900    
 O    5.656000      -1.061200     -0.7028000    
 N   -3.621600      -1.967700      0.8870000    
 N  -0.3299000      0.8558000      0.3026000    
 C   -2.756500      0.3002000      0.3810000    
 C   -2.986100      6.7000002E-02  -1.125500    
 C   -1.648500       1.343500      0.6384000    
 C   -3.298100       1.385400      -1.841500    
 C   -4.108900     -0.9573000      -1.321700    
 C   -2.502000      -1.036900       1.101400    
 C   -1.943700       2.647700     -0.1134000    
 C   -2.203500       2.423500      -1.603400    
 C   -3.822700      -2.243000     -0.5422000    
 C   -3.399600      -3.213000       1.621600    
 C   0.8394000       1.263000      0.9746000    
 C    2.101900      0.6538000      0.5355000    
 C    3.290700       1.348900      0.7047000    
 C    2.086400     -0.6079000     -4.2100001E-02
 C    4.489300      0.7704000      0.2873000    
 C    3.285100      -1.186500     -0.4593000    
 C    4.486700     -0.4974000     -0.2946000    
 C    5.581100      -2.359600      -1.289500    
 H   -3.685300      0.7211000      0.7971000    
 H   -2.073500     -0.3535000      -1.569500    
 H   -1.642700       1.573700       1.711700    
 H   -4.257500       1.785400      -1.489500    
 H   -3.403700       1.210300      -2.918700    
 H   -4.216700      -1.194500      -2.386800    
 H   -5.066900     -0.5352000     -0.9911000    
 H   -1.561800      -1.487800      0.7577000    
 H   -2.394800     -0.8373000       2.175000    
 H   -1.117800       3.359000      6.8999999E-03
 H   -2.831000       3.118700      0.3289000    
 H   -1.278400       2.097900      -2.094300    
 H   -2.491600       3.372100      -2.070800    
 H   -4.678000      -2.917100     -0.6728000    
 H   -2.944800      -2.744600     -0.9704000    
 H  -0.2492000      0.2675000     -0.5195000    
 H   -4.256000      -3.886500       1.505100    
 H   -3.301300      -3.014600       2.694600    
 H   -2.498900      -3.738200       1.283800    
 H    3.309900       2.338700       1.152200    
 H    1.175700      -1.187400     -0.1596000    
 H    5.422100       1.312500      0.4170000    
 H    3.212000      -2.176100     -0.8974000    
 H    6.601800      -2.653300      -1.555800    
 H    4.999300      -2.349000      -2.217400    
 H    5.210500      -3.103000     -0.5756000    


%chk=000040800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040800

0 1
O 0.793158 2.136770 1.787485
O 5.867541 -1.003998 -0.640710
N -3.720219 -1.947804 0.920560
N -0.356498 0.809057 0.266670
C -2.808261 0.311863 0.387207
C -3.055805 0.072912 -1.128516
C -1.682604 1.348604 0.645761
C -3.338709 1.409086 -1.857632
C -4.200730 -0.949942 -1.307723
C -2.580012 -1.024056 1.127011
C -1.985649 2.677389 -0.101809
C -2.221472 2.451015 -1.612891
C -3.929475 -2.244027 -0.516679
C -3.598412 -3.172922 1.733040
C 0.807728 1.233804 0.886598
C 2.088096 0.579435 0.442793
C 3.306626 1.252170 0.733376
C 2.148885 -0.675349 -0.212575
C 4.542027 0.705144 0.358621
C 3.384645 -1.244388 -0.591764
C 4.586194 -0.545853 -0.311088
C 5.975233 -2.295293 -1.325239
H -3.739552 0.753850 0.799153
H -2.136191 -0.377186 -1.573572
H -1.616236 1.567326 1.728298
H -4.303916 1.815380 -1.488077
H -3.465134 1.225031 -2.943262
H -4.334385 -1.190072 -2.381085
H -5.147069 -0.503159 -0.944314
H -1.615080 -1.484934 0.781546
H -2.473129 -0.833526 2.212154
H -1.151849 3.380922 0.072225
H -2.893286 3.127843 0.349400
H -1.279296 2.106649 -2.086985
H -2.482914 3.410014 -2.099686
H -4.789567 -2.934082 -0.607502
H -3.037084 -2.767743 -0.958250
H -0.298157 0.185464 -0.538637
H -4.501723 -3.796186 1.604938
H -3.515997 -2.904594 2.801435
H -2.706986 -3.797010 1.465151
H 3.250143 2.206469 1.266649
H 1.235026 -1.252008 -0.402965
H 5.484422 1.217814 0.572970
H 3.400336 -2.220933 -1.084522
H 7.052620 -2.445143 -1.486292
H 5.450502 -2.278524 -2.300243
H 5.573712 -3.116479 -0.700225


