%chk=000114160.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114160

0 1
 O    3.597600      0.8754000     -0.5843000    
 O    3.936500     -0.4545000       1.278800    
 N   -3.688200      0.6206000      -1.128900    
 N    5.735500      1.0000000E-03 -0.1234000    
 C   -1.017200     -0.9619000     -0.8200000    
 C   -2.194700     -0.8769000      0.1534000    
 C   -2.655100      0.5815000     -9.7199999E-02
 C   -1.658200     -0.6397000      -2.256300    
 C  -0.4553000      -2.403700     -0.7849000    
 C   -1.870900      -1.333100       1.588100    
 C   1.2100000E-02  0.1392000     -0.3363000    
 C   -1.904300       1.526500      0.8304000    
 C   -3.236700     -0.3147000      -2.229600    
 C  -0.1227000      -2.889200      0.6303000    
 C   -1.316900      -2.758300       1.574300    
 C  -0.4011000       1.258900      0.4988000    
 C   -5.015200      0.3068000     -0.6262000    
 C    1.361500      5.2299999E-02 -0.7024000    
 C   0.5481000       2.172700      0.9686000    
 C    2.286800      0.9863000     -0.2280000    
 C    1.886300       2.029300      0.6090000    
 C   -5.430700       1.250200      0.4605000    
 C   -5.749700      0.8670000       1.702000    
 C    4.397400      9.0300001E-02  0.2762000    
 C    6.683900     -0.7744000      0.6634000    
 C    6.271400      0.6482000      -1.316400    
 H   -2.973600      -1.588300     -0.1553000    
 H   -2.062500       1.051100     -0.8961000    
 H   -1.509700      -1.488200      -2.935200    
 H   -1.136300      0.2112000      -2.713900    
 H   0.4271000      -2.505700      -1.425500    
 H   -1.205400      -3.088800      -1.203900    
 H   -2.782700      -1.299500       2.196100    
 H   -1.138800     -0.6954000       2.091100    
 H   -2.120500       1.349300       1.887800    
 H   -2.150200       2.571800      0.6037000    
 H   -3.516400      0.1280000      -3.192300    
 H   -3.765500      -1.274600      -2.159600    
 H   0.7260000      -2.324300       1.033000    
 H   0.1920000      -3.938300      0.5883000    
 H   -2.105600      -3.453900       1.262100    
 H   -1.020600      -3.049400       2.588400    
 H   -5.081900     -0.7311000     -0.2768000    
 H   -5.739500      0.4067000      -1.444100    
 H    1.711100     -0.7423000      -1.354800    
 H   0.2477000       3.007900       1.595200    
 H    2.616500       2.748300      0.9719000    
 H   -5.484300       2.308100      0.2148000    
 H   -6.047800       1.600100       2.443400    
 H   -5.716600     -0.1749000       2.000300    
 H    7.488900     -0.1129000      0.9967000    
 H    7.097800      -1.567600      3.4200002E-02
 H    6.209600      -1.225800       1.538400    
 H    6.679700     -0.1214000      -1.977900    
 H    7.070400       1.331600      -1.014300    
 H    5.510300       1.212400      -1.858700    


%chk=000114160-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114160

0 1
O 3.715858 0.944830 -0.126852
O 3.917882 -1.393553 0.225093
N -3.655821 0.548811 -1.231470
N 5.747102 -0.082703 -0.446953
C -0.937536 -1.018724 -0.654747
C -2.179568 -0.845181 0.242692
C -2.535943 0.600542 -0.256600
C -1.545861 -0.803538 -2.143774
C -0.310185 -2.427164 -0.485175
C -1.942343 -1.181094 1.729947
C 0.018611 0.148784 -0.155496
C -1.991283 1.617433 0.751272
C -3.114956 -0.504989 -2.230098
C -0.079487 -2.787886 1.004843
C -1.375357 -2.621422 1.841078
C -0.462189 1.299818 0.602572
C -5.008479 0.197591 -0.730999
C 1.409572 0.033934 -0.382227
C 0.477526 2.223469 1.110821
C 2.313428 0.980542 0.144006
C 1.865882 2.075061 0.903435
C -5.565106 1.297642 0.147524
C -6.083312 1.110351 1.386920
C 4.429651 -0.289351 -0.092677
C 6.663510 -1.233546 -0.443858
C 6.321477 1.223096 -0.805351
H -2.962854 -1.553557 -0.094425
H -1.789127 0.845227 -1.023114
H -1.382319 -1.732283 -2.726975
H -0.986536 -0.007366 -2.670666
H 0.631839 -2.535118 -1.056664
H -1.023074 -3.157865 -0.922537
H -2.893123 -1.096814 2.293084
H -1.225137 -0.484597 2.200720
H -2.347977 1.494707 1.789821
H -2.174104 2.665202 0.445746
H -3.348055 -0.168657 -3.258977
H -3.652323 -1.466840 -2.071873
H 0.717811 -2.143641 1.422636
H 0.286632 -3.830305 1.078084
H -2.136690 -3.346743 1.483131
H -1.172725 -2.868162 2.901470
H -5.034765 -0.776316 -0.177962
H -5.663521 0.078520 -1.619304
H 1.803108 -0.817885 -0.940250
H 0.111905 3.090793 1.673589
H 2.588267 2.793666 1.301518
H -5.527678 2.305595 -0.290975
H -6.492124 1.942195 1.971619
H -6.116531 0.116217 1.851004
H 7.489044 -1.069536 0.275418
H 7.098386 -1.384056 -1.450686
H 6.104444 -2.134701 -0.151959
H 6.781396 1.172473 -1.811348
H 7.106050 1.512126 -0.078610
H 5.536110 1.988871 -0.808541


