%chk=000089389.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089389

0 1
 O    1.131600     -0.2605000      0.4260000    
 O    4.071800     -7.7699997E-02  -1.714300    
 N    4.456600      0.7707000       1.540900    
 C   -1.223000      0.1844000      0.1203000    
 C   -2.534100     -0.3281000     -2.6500000E-02
 C  -0.1506000     -0.7082000      0.2808000    
 C   -1.022900       1.574200      0.1023000    
 C   -2.734100      -1.718000     -8.3999997E-03
 C  -0.3678000      -2.086300      0.2962000    
 C   -3.606500      0.5646000     -0.1868000    
 C    2.076500     -0.6825000     -0.5530000    
 C   -1.657100      -2.590100      0.1519000    
 C   -2.100000       2.446400     -5.8200002E-02
 C   -3.389400       1.942600     -0.2025000    
 C    3.162800      0.3738000     -0.7148000    
 C    3.885900      0.5946000      0.5461000    
 H  -2.8300000E-02   2.000900      0.2121000    
 H   -3.733300      -2.134200     -0.1188000    
 H   0.4571000      -2.780800      0.4308000    
 H   -4.622600      0.1930000     -0.3013000    
 H    1.592600     -0.8510000      -1.525000    
 H    2.513300      -1.639200     -0.2381000    
 H   -1.826000      -3.662900      0.1665000    
 H   -1.931700       3.519400     -7.0400000E-02
 H   -4.227300       2.622300     -0.3273000    
 H    2.722400       1.318300      -1.051700    
 H    4.428700     -0.9385000      -1.435100    


%chk=000089389-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089389

0 1
O 1.052153 -0.007665 -0.457522
O 4.636900 -0.706259 -1.102098
N 3.846434 1.651018 1.340540
C -1.306536 0.274274 -0.105823
C -2.629679 -0.287770 0.061810
C -0.200452 -0.632346 -0.287277
C -1.133612 1.695376 -0.083865
C -2.802823 -1.713091 0.048553
C -0.388277 -2.018427 -0.294656
C -3.736376 0.606611 0.240136
C 2.225103 -0.864565 -0.592517
C -1.704331 -2.553066 -0.124052
C -2.234542 2.538190 0.093418
C -3.546017 1.990361 0.254816
C 3.435043 0.076905 -0.782901
C 3.646551 0.959109 0.389665
H -0.126705 2.105058 -0.201832
H -3.808348 -2.128883 0.176842
H 0.450047 -2.707469 -0.432249
H -4.739750 0.182848 0.366406
H 2.152606 -1.509533 -1.489914
H 2.354422 -1.499686 0.308428
H -1.836739 -3.640272 -0.132790
H -2.095161 3.624476 0.112084
H -4.400461 2.662098 0.392502
H 3.262984 0.704389 -1.673178
H 4.972165 -1.154480 -0.282826


