%chk=000113300.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113300

0 1
 O    1.861700      -2.321900     -0.3820000    
 O    4.640200       1.572100      0.7618000    
 O   -4.373400     -0.4990000      0.1098000    
 N    2.241300      0.4645000     -0.2692000    
 N   -2.557200       1.003600      6.5399997E-02
 C   0.9519000     -0.1078000     -0.2145000    
 C   0.7861000      -1.491600     -0.2719000    
 C  -0.1623000      0.7240000     -0.1019000    
 C    2.466500       1.875000     -0.2142000    
 C   -1.442300      0.1720000     -4.6300001E-02
 C  -0.4937000      -2.043700     -0.2169000    
 C   -1.607900      -1.211800     -0.1041000    
 C    3.952500       2.169000     -0.3305000    
 C   -3.907600      0.6356000      0.1330000    
 C    2.453800      -2.778400      0.8320000    
 C   -4.809700       1.838500      0.2495000    
 H    3.014600     -0.1694000     -0.4374000    
 H  -6.6600002E-02   1.805200     -5.3599998E-02
 H    2.104800       2.272900      0.7415000    
 H    1.948900       2.387300      -1.033100    
 H  -0.6293000      -3.121100     -0.2623000    
 H   -2.565200      -1.712500     -6.7599997E-02
 H    4.133300       3.247400     -0.2974000    
 H    4.373200       1.776300      -1.262200    
 H   -2.354300       2.000400      0.1012000    
 H    1.738900      -3.378800       1.403700    
 H    2.802800      -1.935000       1.436200    
 H    3.313100      -3.405600      0.5791000    
 H   -4.583600       2.381700       1.171400    
 H   -5.854700       1.517300      0.2730000    
 H   -4.661200       2.498600     -0.6097000    
 H    4.505400      0.6111000      0.7109000    


%chk=000113300-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113300

0 1
O 2.226261 -2.023588 0.126518
O 4.125709 2.406873 1.148344
O -4.282399 -0.483525 0.542524
N 2.347713 0.587112 -0.278460
N -2.535381 1.027840 0.109510
C 1.066729 0.047090 -0.091899
C 0.975094 -1.363676 0.153772
C -0.129499 0.798522 -0.109563
C 2.616738 1.946147 -0.762339
C -1.386979 0.177433 0.134965
C -0.267832 -1.972525 0.384377
C -1.462721 -1.212207 0.383029
C 4.026873 2.368838 -0.311430
C -3.874494 0.693310 0.305780
C 2.227710 -3.466837 0.360841
C -4.843977 1.872683 0.217108
H 3.075471 -0.117299 -0.433844
H -0.092742 1.874474 -0.315128
H 1.889181 2.642069 -0.307562
H 2.524231 2.033631 -1.868894
H -0.331915 -3.048698 0.571609
H -2.431575 -1.677730 0.564084
H 4.251476 3.390348 -0.660258
H 4.786400 1.677501 -0.742203
H -2.341787 2.014723 -0.071755
H 1.637312 -3.997632 -0.411075
H 1.826563 -3.707020 1.364393
H 3.282538 -3.773147 0.299181
H -5.382452 1.965779 1.176201
H -5.597500 1.657918 -0.560067
H -4.360975 2.838751 -0.013246
H 3.656228 1.598742 1.489187


