%chk=000072339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072339

0 1
 O   -4.706000      0.9401000      -1.464900    
 O   -3.376300      -2.649900       1.173600    
 O   -4.066200      -3.151900     -0.9785000    
 O    6.372600      -1.707400     -0.6401000    
 N  -0.8073000       2.068300      0.5894000    
 N    1.712300     -0.7011000      0.4513000    
 C   -3.212500       1.404800      0.4738000    
 C   -2.791700     -7.9000004E-02  0.5550000    
 C  -0.3919000      0.6794000      0.9228000    
 C   -1.313500     -0.3097000      0.1974000    
 C   -2.157000       2.337700       1.092400    
 C   -3.692700       1.821300     -0.9415000    
 C    1.048100      0.4884000      0.5521000    
 C   0.1598000       3.071400       1.085500    
 C    1.948400       1.506700      0.3192000    
 C    1.527300       2.932900      0.3767000    
 C   -3.709100     -0.9130000     -0.2873000    
 C    3.207500      0.9142000      3.3199999E-02
 C   -2.633600       2.014800      -2.024100    
 C   -4.567200     -0.3889000      -1.169200    
 C    3.031700     -0.4711000      0.1217000    
 C   -3.747000      -2.365200     -0.1005000    
 C    4.484000       1.415800     -0.2909000    
 C    4.074700      -1.378000     -9.8200001E-02
 C    5.534700      0.5188000     -0.5146000    
 C    5.331000     -0.8561000     -0.4190000    
 C   -3.363000      -4.040400       1.512500    
 C    6.102800      -3.103000     -0.5278000    
 H   -4.109100       1.494800       1.108900    
 H   -2.913500     -0.3568000       1.611700    
 H  -0.4744000      0.5204000       2.007800    
 H   -1.156400     -0.2494000     -0.8862000    
 H   -1.036600      -1.335900      0.4737000    
 H   -2.441300       3.375200      0.8761000    
 H   -2.177900       2.229600       2.185400    
 H   -4.193500       2.792200     -0.8305000    
 H   0.2884000       2.968800       2.171500    
 H  -0.2120000       4.086000      0.8971000    
 H    2.275600       3.534200      0.9048000    
 H    1.449900       3.319800     -0.6470000    
 H    1.304800      -1.615200      0.5928000    
 H   -1.891000       2.766300      -1.746900    
 H   -2.127600       1.080500      -2.277100    
 H   -3.112300       2.351800      -2.951300    
 H   -5.284700     -0.9617000      -1.742300    
 H    4.658200       2.485300     -0.3681000    
 H    3.854900      -2.434500     -8.3999997E-03
 H    6.518900      0.9075000     -0.7647000    
 H   -2.645300      -4.576000      0.8837000    
 H   -4.365100      -4.466100       1.404600    
 H   -3.052400      -4.132700       2.556600    
 H    5.377500      -3.435600      -1.278300    
 H    5.803500      -3.375600      0.4900000    
 H    7.039700      -3.630500     -0.7356000    


%chk=000072339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072339

0 1
O -4.840464 1.037201 -1.405262
O -3.061844 -2.765832 0.994945
O -4.730325 -3.109744 -0.602433
O 6.474584 -1.720457 -0.579702
N -0.814376 2.127416 0.596639
N 1.677107 -0.712728 0.508537
C -3.255669 1.487333 0.468779
C -2.845779 -0.011163 0.566782
C -0.430483 0.719856 0.921013
C -1.364853 -0.257122 0.167195
C -2.181277 2.413108 1.088363
C -3.691027 1.918876 -0.954579
C 1.025339 0.533805 0.583970
C 0.178775 3.127982 1.078555
C 1.936059 1.546629 0.306735
C 1.521344 2.995373 0.322439
C -3.841366 -0.859406 -0.210736
C 3.213276 0.915532 0.036036
C -2.647958 1.929949 -2.079803
C -4.751947 -0.294303 -1.074344
C 3.020844 -0.504697 0.172294
C -3.955112 -2.314065 -0.007531
C 4.507978 1.393086 -0.303041
C 4.060817 -1.444571 -0.016652
C 5.553689 0.477631 -0.495832
C 5.331191 -0.926493 -0.354598
C -3.142044 -4.213406 1.288978
C 6.320703 -3.167954 -0.456901
H -4.167924 1.608736 1.090315
H -2.925396 -0.299853 1.636128
H -0.581303 0.538618 2.024736
H -1.212363 -0.130811 -0.917072
H -1.114831 -1.302515 0.427010
H -2.420301 3.469806 0.858350
H -2.237119 2.302794 2.204359
H -4.174550 2.910318 -0.887056
H 0.362301 3.015317 2.177738
H -0.249596 4.134471 0.915459
H 2.282641 3.626764 0.822093
H 1.405155 3.383987 -0.709073
H 1.232656 -1.617493 0.646345
H -1.734880 2.446236 -1.736889
H -2.364163 0.904972 -2.372359
H -3.059410 2.437131 -2.969228
H -5.523289 -0.892817 -1.569564
H 4.695668 2.466517 -0.416744
H 3.883512 -2.518501 0.093119
H 6.562655 0.809132 -0.758686
H -2.913851 -4.805032 0.385993
H -4.153230 -4.479739 1.640591
H -2.393607 -4.384642 2.076552
H 5.585892 -3.560715 -1.188148
H 6.010847 -3.457078 0.567513
H 7.315507 -3.585138 -0.673029


