%chk=000101124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101124

0 1
 O  -0.8481000      -1.992900     -0.8908000    
 O   -3.543100      -1.659100      -1.039800    
 O   -4.796900      0.2902000      0.4654000    
 O    2.394000       2.414200      -2.124200    
 O    4.032000      -2.319100     -0.9903000    
 N   0.5125000       2.105900     -0.7901000    
 N    5.316600     -0.3523000      0.5606000    
 C    1.190300       2.030600      0.4872000    
 C   0.3582000       2.643400       1.632500    
 C  -0.5293000       1.674000       2.420300    
 C    1.657700      0.5923000      0.7282000    
 C   -1.317000      0.7585000       1.521700    
 C  -0.6665000     -0.2387000      0.7631000    
 C   0.8137000     -0.4672000      0.8494000    
 C   -1.433400      -1.045800     -9.6199997E-02
 C   -2.706100      0.9218000       1.409900    
 C    3.111100      0.5146000      0.8666000    
 C    1.266800      -1.831100       1.113700    
 C   -2.814200     -0.8728000     -0.1966000    
 C   -3.449900      0.1085000      0.5570000    
 C    3.955000     -0.4579000      0.4852000    
 C    1.180000       2.291700      -1.984800    
 C    2.382100      -2.427700      0.6830000    
 C    3.465600      -1.752800     -6.0699999E-02
 C   0.2400000       2.306700      -3.160200    
 C  -0.4399000      -1.578500      -2.190200    
 C   -4.069800      -2.869400     -0.5015000    
 C   -5.261200       1.212800     -0.5181000    
 H    2.060100       2.692800      0.3751000    
 H  -0.2622000       3.457300       1.233700    
 H    1.043300       3.110200       2.352700    
 H   -1.201500       2.253600       3.065300    
 H   7.7200003E-02   1.070500       3.108100    
 H  -0.4953000       1.980500     -0.8081000    
 H   -3.211300       1.692900       1.987400    
 H    3.565500       1.413700       1.285600    
 H   0.5576000      -2.454300       1.657900    
 H    2.522600      -3.490300      0.8589000    
 H   0.6890000       2.879600      -3.976500    
 H   6.1299998E-02   1.281600      -3.493900    
 H  -0.7136000       2.773400      -2.896900    
 H    5.739600      0.4943000      0.9201000    
 H    5.900800      -1.121800      0.2580000    
 H  -0.1172000      -2.463800      -2.745100    
 H   0.4044000     -0.8864000      -2.123600    
 H   -1.266200      -1.110000      -2.734200    
 H   -3.261600      -3.520500     -0.1535000    
 H   -4.617800      -3.386500      -1.293900    
 H   -4.760900      -2.657100      0.3202000    
 H   -4.959100      0.8928000      -1.520200    
 H   -6.353400       1.239700     -0.4741000    
 H   -4.877500       2.217200     -0.3127000    


%chk=000101124-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101124

0 1
O -0.968836 -1.942718 -1.009712
O -3.734973 -1.398958 -1.066602
O -4.788396 0.669606 0.702077
O 2.166919 2.982885 -2.175558
O 4.780207 -2.888759 1.174776
N 0.453262 2.148652 -0.834085
N 5.469485 -0.445944 0.787130
C 1.314079 2.008615 0.359738
C 0.649693 2.608586 1.636191
C -0.252088 1.616700 2.422100
C 1.817296 0.558769 0.575869
C -1.167752 0.820469 1.510175
C -0.600618 -0.188631 0.666680
C 0.870789 -0.495600 0.707010
C -1.481874 -0.908011 -0.190573
C -2.550132 1.096045 1.456076
C 3.235453 0.456695 0.616301
C 1.201100 -1.876144 0.910585
C -2.882702 -0.654375 -0.216681
C -3.419453 0.376523 0.602498
C 4.112164 -0.632215 0.799982
C 0.956109 2.624352 -2.036122
C 2.417665 -2.544572 1.049466
C 3.780954 -2.078578 1.020255
C -0.050099 2.702618 -3.181819
C -0.911156 -1.607529 -2.451336
C -3.898647 -2.820573 -0.668884
C -5.541237 0.893272 -0.552601
H 2.190098 2.633921 0.114236
H 0.068808 3.497531 1.324069
H 1.449858 2.964200 2.313365
H -0.843006 2.178048 3.167971
H 0.400807 0.918451 2.979322
H -0.518525 1.841211 -0.775459
H -2.989767 1.868258 2.095440
H 3.754497 1.413227 0.453001
H 0.326872 -2.533802 0.981261
H 2.358227 -3.628856 1.213162
H -0.157005 3.755237 -3.496752
H 0.346388 2.143538 -4.046698
H -1.046584 2.305121 -2.920721
H 5.904569 0.459007 0.626905
H 6.020529 -1.304023 0.927513
H -0.515840 -2.507119 -2.946542
H -0.222154 -0.757354 -2.616053
H -1.921078 -1.369988 -2.832651
H -2.922548 -3.335451 -0.684462
H -4.576955 -3.256938 -1.417964
H -4.352870 -2.882151 0.337225
H -5.480086 0.013694 -1.213054
H -6.578091 1.074115 -0.231475
H -5.149354 1.788243 -1.073975


