%chk=000103810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103810

0 1
 O  -0.7644000     -0.3152000     -0.8272000    
 O  -6.1600000E-02 -0.2058000       1.394700    
 N   -4.228700     -0.7333000      0.3658000    
 C   0.3901000     -0.1142000      2.1100000E-02
 C   -1.812600     -0.7670000      3.2299999E-02
 C   -1.483000     -0.1066000       1.341800    
 C    1.435000      -1.206700     -0.2253000    
 C   0.9804000       1.280200     -0.2145000    
 C   -3.163400     -0.3804000     -0.5306000    
 C    2.610800      -1.284800      0.5565000    
 C    2.055000       1.761800      0.5685000    
 C    1.246600      -2.163900      -1.241900    
 C   0.4566000       2.120500      -1.217000    
 C   -5.538400     -0.3722000     -0.1797000    
 C    2.929800     -0.3389000       1.638000    
 C    2.689600      0.9808000       1.642600    
 C    3.527600      -2.327800      0.3340000    
 C    2.541100       3.064600      0.3576000    
 C    2.174800      -3.182900      -1.461600    
 C   0.9622000       3.404700      -1.425100    
 C    3.312300      -3.268400     -0.6704000    
 C    2.000500       3.878800     -0.6348000    
 C   -5.626800       1.137000     -0.3882000    
 C   -6.633400     -0.8602000      0.7634000    
 H   -1.721500      -1.857600      0.1170000    
 H   -1.925500     -0.6038000       2.209000    
 H   -1.749500      0.9562000       1.359800    
 H   -3.288300     -0.8751000      -1.502400    
 H   -3.128000      0.6943000     -0.7419000    
 H   -4.100100     -0.2797000       1.269600    
 H   0.3683000      -2.138600      -1.881600    
 H  -0.3614000       1.793700      -1.854000    
 H   -5.687800     -0.8762000      -1.143000    
 H    3.442800     -0.7648000       2.498100    
 H    3.020700       1.553900       2.506600    
 H    4.429700      -2.410400      0.9374000    
 H    3.357700       3.455500      0.9617000    
 H    2.003900      -3.911000      -2.249200    
 H   0.5389000       4.034400      -2.202300    
 H    4.033400      -4.063200     -0.8357000    
 H    2.391800       4.879600     -0.7908000    
 H   -5.023100       1.478200      -1.234700    
 H   -5.320400       1.691500      0.5062000    
 H   -6.659500       1.429000     -0.6123000    
 H   -6.572100      -1.944600      0.9080000    
 H   -7.624900     -0.6363000      0.3552000    
 H   -6.559900     -0.3828000       1.747200    


%chk=000103810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103810

0 1
O -0.675530 -0.644618 -0.757925
O 0.133738 -0.544078 1.455496
N -4.239005 -0.330316 0.418933
C 0.539226 -0.344142 0.031157
C -1.833791 -0.808308 0.168678
C -1.303332 -0.220578 1.493044
C 1.632336 -1.361805 -0.272267
C 0.947608 1.118554 -0.195103
C -3.052944 -0.088886 -0.428317
C 2.847400 -1.374686 0.484162
C 1.988848 1.711520 0.591900
C 1.403043 -2.355060 -1.252113
C 0.239526 1.913989 -1.127175
C -5.569738 -0.163545 -0.225046
C 3.246929 -0.344984 1.448832
C 2.877697 0.976449 1.497185
C 3.758683 -2.452772 0.271006
C 2.208240 3.116905 0.468054
C 2.338317 -3.386996 -1.475505
C 0.503711 3.293133 -1.264547
C 3.517678 -3.445067 -0.695458
C 1.482733 3.902953 -0.445043
C -5.852973 1.280461 -0.725512
C -6.658787 -0.634224 0.759837
H -2.050471 -1.887325 0.273728
H -1.712767 -0.704253 2.392310
H -1.458664 0.878136 1.535581
H -3.253303 -0.515484 -1.428827
H -2.796309 0.986895 -0.576578
H -4.195328 0.186643 1.309209
H 0.466298 -2.316964 -1.813812
H -0.530325 1.431496 -1.735157
H -5.576719 -0.841920 -1.102675
H 4.017898 -0.662609 2.164829
H 3.385308 1.598592 2.247587
H 4.680673 -2.483831 0.864135
H 2.986898 3.580537 1.085946
H 2.140167 -4.150269 -2.236059
H -0.058820 3.889094 -1.991731
H 4.241419 -4.253867 -0.845532
H 1.683308 4.977055 -0.526166
H -5.067372 1.626617 -1.421932
H -5.892938 1.985966 0.127321
H -6.822262 1.332663 -1.255914
H -6.465323 -1.672554 1.079338
H -7.659884 -0.584146 0.295234
H -6.675795 0.007931 1.662789


