%chk=000226949.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226949

0 1
 O   0.9314000      -1.935800      -1.125400    
 N    1.576600      8.3600000E-02 -0.1369000    
 C    2.978200     -0.1154000     -0.3823000    
 C    1.205000       1.329200      0.5493000    
 C    3.670100     -0.8450000      0.7628000    
 C   0.9337000       2.469600     -0.4246000    
 C   0.6436000     -0.8873000     -0.5492000    
 C  -0.7845000     -0.6692000     -0.2690000    
 C    5.160100      -1.040800      0.5205000    
 C   0.5692000       3.769400      0.2786000    
 C   -1.565900     -1.6000000E-03  -1.199100    
 C   -1.323100      -1.135600      0.9204000    
 C   -3.475300     -0.2591000      0.2591000    
 C   -2.919700      0.2048000     -0.9334000    
 C   -2.676800     -0.9293000       1.186000    
 C   -4.922600     -3.7599999E-02  0.5434000    
 H    3.454700      0.8543000     -0.5680000    
 H    3.097100     -0.7037000      -1.300300    
 H    2.013000       1.600000       1.239500    
 H   0.3186000       1.158700       1.167400    
 H    3.533900     -0.2878000       1.697300    
 H    3.201000      -1.824600      0.9156000    
 H    1.821800       2.643300      -1.044100    
 H   0.1290000       2.205700      -1.116500    
 H    5.666900     -7.7399999E-02  0.4060000    
 H    5.615900      -1.567800       1.364400    
 H    5.334200      -1.631300     -0.3846000    
 H    1.376300       4.093900      0.9430000    
 H   0.3925000       4.561800     -0.4553000    
 H  -0.3405000       3.647900      0.8752000    
 H   -1.143800      0.3555000      -2.134200    
 H  -0.7076000      -1.658400       1.647100    
 H   -3.532000      0.7255000      -1.665000    
 H   -3.098100      -1.296800       2.118000    
 H   -5.279900      0.8866000      7.6499999E-02
 H   -5.513100     -0.8755000      0.1600000    
 H   -5.104100      5.6600001E-02   1.619500    


%chk=000226949-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226949

0 1
O 1.026161 -2.114055 -0.413402
N 1.499387 0.149231 -0.169310
C 2.928613 -0.163044 -0.427640
C 1.208591 1.483324 0.404500
C 3.677051 -0.681864 0.823810
C 1.302664 2.651127 -0.606710
C 0.607825 -0.924586 -0.205155
C -0.868518 -0.679134 -0.009888
C 5.166117 -0.952243 0.521487
C 1.040979 4.010355 0.077406
C -1.583372 0.368910 -0.641451
C -1.596265 -1.632763 0.749424
C -3.712358 -0.459925 0.284155
C -2.985039 0.471798 -0.497738
C -2.990486 -1.515445 0.904713
C -5.219064 -0.353855 0.440275
H 3.418103 0.752032 -0.812009
H 2.968687 -0.936005 -1.214367
H 1.929639 1.671413 1.228186
H 0.204548 1.465574 0.860119
H 3.590566 0.056021 1.646610
H 3.183041 -1.610934 1.160555
H 2.304910 2.659429 -1.077536
H 0.575546 2.491696 -1.425667
H 5.684848 -0.032485 0.189081
H 5.692053 -1.330674 1.416410
H 5.275515 -1.709302 -0.277358
H 1.775879 4.200075 0.882443
H 1.113371 4.841584 -0.646379
H 0.031833 4.043001 0.529388
H -1.054798 1.087898 -1.276296
H -1.050423 -2.470296 1.195957
H -3.521168 1.281693 -1.007023
H -3.532367 -2.256980 1.504710
H -5.616242 0.548053 -0.056013
H -5.728732 -1.231949 0.000193
H -5.511296 -0.311272 1.506219


