%chk=000059022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059022

0 1
 O    1.772100      -1.192000     -0.1481000    
 N   -3.516700      -2.634900     -7.9400003E-02
 N   -3.717000       3.218200      8.6000003E-03
 C   -3.129400     -0.5112000      0.4377000    
 C   -3.340300      0.8996000      0.8196000    
 C   -1.880600      -1.139000      0.1707000    
 C   -3.539700       1.827000     -0.3933000    
 C   -2.151700      -2.470500     -0.1510000    
 C   -4.116100      -1.456200      0.2754000    
 C  -0.5414000     -0.7007000      0.1718000    
 C   -1.146600      -3.389600     -0.4727000    
 C   0.4744000      -1.608800     -0.1480000    
 C   0.1743000      -2.932100     -0.4651000    
 C   -3.858300       4.079200      -1.166500    
 C   -2.592100       3.663400      0.8325000    
 C    2.013700      0.1733000      0.1846000    
 C    3.486900      0.4450000      9.9299997E-02
 C    4.286500      0.2640000       1.222400    
 C    4.039500      0.8747000      -1.102000    
 C    5.656100      0.5162000       1.143200    
 C    5.409200       1.126900      -1.181200    
 C    6.217300      0.9476000     -5.8400001E-02
 H   -4.213500      0.9749000       1.481500    
 H   -2.475700       1.200400       1.420900    
 H   -4.425800       1.491900     -0.9484000    
 H   -2.683800       1.723000      -1.074900    
 H   -5.190700      -1.397300      0.3795000    
 H   -4.004800      -3.500600     -0.2627000    
 H  -0.3695000      0.3376000      0.4264000    
 H   -1.379300      -4.420000     -0.7197000    
 H   0.9749000      -3.625700     -0.7113000    
 H   -4.056100       5.113900     -0.8648000    
 H   -2.962500       4.068600      -1.798000    
 H   -4.713300       3.762900      -1.774700    
 H   -2.631500       3.236300       1.839300    
 H   -1.621100       3.437800      0.3765000    
 H   -2.639800       4.748300      0.9885000    
 H    1.675900      0.3914000       1.206600    
 H    1.500400      0.8450000     -0.5166000    
 H    3.860600     -7.4199997E-02   2.163000    
 H    3.420300       1.015300      -1.983700    
 H    6.285600      0.3759000       2.017100    
 H    5.846500       1.462100      -2.117100    
 H    7.283800       1.143600     -0.1202000    


%chk=000059022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059022

0 1
O 1.784414 -1.157406 -0.092131
N -3.559297 -2.747138 0.292274
N -3.775105 3.234712 -0.252170
C -3.240710 -0.498962 0.598150
C -3.504592 0.967241 0.839993
C -1.952948 -1.123379 0.341490
C -3.428180 1.808302 -0.462356
C -2.182003 -2.529928 0.155067
C -4.189795 -1.523330 0.560333
C -0.626642 -0.611486 0.265316
C -1.125590 -3.431825 -0.107024
C 0.421982 -1.517382 0.009481
C 0.176994 -2.912724 -0.178163
C -4.068307 3.923661 -1.526294
C -2.768184 3.969613 0.539436
C 2.120707 0.253319 0.110187
C 3.627575 0.418897 0.027292
C 4.503745 -0.671773 0.242832
C 4.170611 1.701494 -0.235736
C 5.903408 -0.479032 0.201070
C 5.569323 1.895329 -0.270845
C 6.441676 0.803684 -0.051867
H -4.508865 1.116674 1.277350
H -2.774908 1.354450 1.578227
H -4.152164 1.386670 -1.184442
H -2.411604 1.691310 -0.922231
H -5.266684 -1.466363 0.710729
H -4.024395 -3.648919 0.223839
H -0.445791 0.458256 0.404204
H -1.302512 -4.503328 -0.250968
H 1.034502 -3.561708 -0.379482
H -4.407034 4.955624 -1.322107
H -3.186986 3.981421 -2.216091
H -4.881403 3.396185 -2.056153
H -2.649763 3.511572 1.535776
H -1.760311 3.999333 0.047536
H -3.105228 5.011148 0.688087
H 1.749982 0.576649 1.108410
H 1.618136 0.878518 -0.658151
H 4.078759 -1.662428 0.427090
H 3.500568 2.552075 -0.416815
H 6.573484 -1.330713 0.365066
H 5.976740 2.891833 -0.475674
H 7.527095 0.951053 -0.083236


