%chk=000169763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169763

0 1
 O    1.066200      -2.644500      4.1099999E-02
 O    2.338200       1.956200      0.4300000    
 O    2.897600     -0.7251000      0.8375000    
 N   -3.327900     -0.1592000      0.2119000    
 C   -4.358500      8.8399999E-02   1.209200    
 C   -2.908700      3.0099999E-02   1.592800    
 C   -3.071100       1.045000     -0.5710000    
 C   -1.953100      0.8221000      -1.599600    
 C  -0.6718000      0.4131000     -0.9561000    
 C   0.2489000       1.382300     -0.5572000    
 C  -0.3932000     -0.9386000     -0.7527000    
 C   0.8059000      -1.321100     -0.1511000    
 C    1.447900      0.9999000      4.4599999E-02
 C    1.726300     -0.3518000      0.2475000    
 C   7.2800003E-02  -3.570300     -0.3950000    
 C    1.976800       3.314200      0.1866000    
 C    4.103700     -0.3408000      0.1815000    
 H   -4.982300     -0.7595000       1.458900    
 H   -4.855700       1.049700       1.217200    
 H   -2.414700      0.9462000       1.888500    
 H   -2.556200     -0.8597000       2.098700    
 H   -3.980400       1.303000      -1.130300    
 H   -2.827700       1.931100      3.2699998E-02
 H   -1.807600       1.740500      -2.182600    
 H   -2.263600      6.2600002E-02  -2.329700    
 H  -2.3499999E-02   2.416800     -0.7380000    
 H   -1.141000      -1.648900      -1.088800    
 H  -6.9200002E-02  -3.529100      -1.480300    
 H  -0.8663000      -3.444000      0.1548000    
 H   0.4438000      -4.573900     -0.1618000    
 H    1.083700       3.602100      0.7517000    
 H    1.878300       3.520200     -0.8848000    
 H    2.799000       3.936800      0.5547000    
 H    4.487600      0.5866000      0.6158000    
 H    3.969300     -0.2288000     -0.9001000    
 H    4.845300      -1.126600      0.3531000    


%chk=000169763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169763

0 1
O 1.155333 -2.593837 0.053183
O 2.391818 2.008040 0.386824
O 2.870939 -0.682841 0.896116
N -3.607328 -0.066210 0.092670
C -4.400371 0.159314 1.359448
C -2.957273 -0.313305 1.433090
C -3.189259 1.171251 -0.624290
C -2.073300 0.870843 -1.658670
C -0.742000 0.470973 -1.037307
C 0.193944 1.462156 -0.658423
C -0.445737 -0.891581 -0.808293
C 0.777015 -1.267676 -0.198742
C 1.411243 1.091219 -0.037041
C 1.719588 -0.277816 0.202810
C 0.194866 -3.639854 -0.302649
C 2.091903 3.432187 0.237445
C 4.157526 -0.429274 0.217235
H -5.222535 -0.542286 1.531325
H -4.604300 1.195876 1.664392
H -2.202108 0.405366 1.778278
H -2.729210 -1.359626 1.658396
H -4.079411 1.548041 -1.164344
H -2.848025 1.977699 0.071721
H -1.941886 1.776093 -2.283000
H -2.442065 0.066254 -2.321078
H -0.034240 2.515232 -0.851715
H -1.183854 -1.644248 -1.099771
H -0.007520 -3.653167 -1.391743
H -0.759380 -3.516875 0.246103
H 0.677350 -4.581864 -0.003105
H 1.176684 3.711141 0.795067
H 1.976185 3.713882 -0.827658
H 2.960222 3.954498 0.665785
H 4.318872 0.653530 0.072865
H 4.191890 -0.955176 -0.756542
H 4.923225 -0.842958 0.891317


