%chk=000065793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065793

0 1
 O    8.673700       1.075900      0.2118000    
 O   0.3744000       1.157900     -0.1450000    
 O   -8.563000      0.6443000     -0.7607000    
 O    2.380900       2.159700     -0.4948000    
 O   -4.147400       1.397900       1.269600    
 N    6.090400     -0.1128000      8.9599997E-02
 N   -6.023700      0.3310000      0.4404000    
 N   -3.961100     -0.8071000      0.5690000    
 C    4.668500     -0.1600000      0.4242000    
 C    6.914900     -0.1895000       1.303700    
 C    6.409900       1.110300     -0.6594000    
 C    3.843100     -0.1696000     -0.8519000    
 C    8.393300     -0.1257000      0.9308000    
 C    7.900000       1.142500     -0.9866000    
 C    2.370700     -0.2221000     -0.5325000    
 C    1.653500      -1.356400     -0.3842000    
 C   0.1994000      -1.268600     -0.1367000    
 C   -6.892900       1.459600      0.7823000    
 C   -6.727900     -0.8239000     -0.1360000    
 C  -0.3896000     -1.2800000E-02 -2.4100000E-02
 C    1.735300       1.120500     -0.3972000    
 C   -7.821500       1.802000     -0.3719000    
 C   -7.689000     -0.3807000      -1.234300    
 C    2.254200      -2.739200     -0.4408000    
 C   -2.572000     -0.9595000      0.3326000    
 C  -0.6445000      -2.383900     -1.5400000E-02
 C   -1.756500      0.1591000      0.2097000    
 C   -4.656300      0.3820000      0.7892000    
 C   -2.016600      -2.230800      0.2184000    
 H    4.386800      0.6892000       1.061200    
 H    4.461400      -1.072600      0.9975000    
 H    6.673700      0.6408000       1.980400    
 H    6.723300      -1.128200       1.835800    
 H    5.901200       1.161100      -1.624600    
 H    6.141700       2.000600     -7.5999998E-02
 H    4.006500      0.7081000      -1.483100    
 H    4.131200      -1.015300      -1.488400    
 H    9.006500     -0.1215000       1.837700    
 H    8.696600     -0.9914000      0.3295000    
 H    8.186900      0.3201000      -1.653600    
 H    8.151300       2.080800      -1.491500    
 H   -7.478100       1.141500       1.653400    
 H   -6.309600       2.338300       1.072500    
 H   -6.038800      -1.562200     -0.5497000    
 H   -7.281700      -1.288700      0.6876000    
 H   -8.536100       2.571700     -6.4199999E-02
 H   -7.265100       2.185800      -1.235200    
 H   -7.144000     -1.2600000E-02  -2.111800    
 H   -8.304500      -1.226500      -1.556300    
 H    2.030000      -3.295600      0.4764000    
 H    1.860200      -3.294700      -1.298800    
 H    3.342800      -2.741100     -0.5318000    
 H  -0.2608000      -3.397200     -0.1001000    
 H   -2.130600       1.174600      0.2538000    
 H   -2.638900      -3.117800      0.3082000    
 H   -4.485400      -1.675800      0.5927000    


%chk=000065793-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065793

0 1
O 9.009460 0.581883 0.525135
O 0.397890 1.399975 -0.456880
O -8.929517 0.246031 -0.365969
O 2.421793 2.425420 -0.786857
O -4.292151 1.726598 0.310402
N 6.197974 -0.059317 0.124493
N -6.157071 0.326941 0.423064
N -3.975363 -0.605711 0.309749
C 4.734305 0.021039 0.347370
C 6.928151 -0.492548 1.345936
C 6.781537 1.210631 -0.386704
C 3.935373 0.007613 -0.984364
C 8.421424 -0.670098 1.026968
C 8.279068 1.021104 -0.677134
C 2.436752 -0.004692 -0.742730
C 1.676386 -1.156145 -0.554633
C 0.239022 -1.045202 -0.319707
C -7.045487 1.489181 0.662904
C -6.871357 -0.964146 0.346259
C -0.369264 0.243741 -0.285050
C 1.823720 1.333267 -0.673177
C -8.176730 1.517957 -0.376474
C -8.027857 -0.866593 -0.678605
C 2.290019 -2.541943 -0.584358
C -2.576265 -0.680718 0.108020
C -0.625889 -2.160158 -0.119564
C -1.745665 0.448655 -0.076572
C -4.776547 0.554079 0.342943
C -1.998302 -1.989629 0.088767
H 4.447295 0.928417 0.934142
H 4.439173 -0.861638 0.947430
H 6.820540 0.249143 2.177595
H 6.509604 -1.457169 1.692201
H 6.267552 1.505581 -1.319119
H 6.649162 2.040562 0.352126
H 4.179574 0.914816 -1.563319
H 4.262861 -0.864526 -1.576119
H 8.995852 -0.923853 1.933533
H 8.544641 -1.473112 0.267843
H 8.407382 0.269764 -1.486280
H 8.749346 1.972769 -0.974796
H -7.481496 1.408804 1.679572
H -6.428067 2.400607 0.607948
H -6.205368 -1.782294 0.020310
H -7.285671 -1.226403 1.341810
H -8.916546 2.297825 -0.135210
H -7.760543 1.697864 -1.390367
H -7.605935 -0.739424 -1.699631
H -8.652051 -1.775054 -0.646344
H 2.114913 -3.069055 0.372748
H 1.832721 -3.158032 -1.381691
H 3.374780 -2.514696 -0.758351
H -0.213842 -3.173466 -0.131845
H -2.156437 1.458330 -0.051354
H -2.639018 -2.868304 0.235134
H -4.429133 -1.503171 0.480203


