%chk=000173219.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173219

0 1
 O    2.020800      -2.532500     -0.4259000    
 O    1.428900      -1.316000       1.415300    
 O  -0.1528000       2.009500       1.304200    
 N    4.427400     -0.6963000     -0.2560000    
 N   0.9953000       1.914900     -0.7132000    
 C    3.552300      0.3559000     -0.8282000    
 C    3.192900       1.352800      0.2660000    
 C    3.701500      -1.464600      0.8572000    
 C    5.700600     -8.1200004E-02  0.3418000    
 C    4.846600      -1.704300      -1.335300    
 C    2.251900       2.443500     -0.2348000    
 C   -3.676700      0.3555000     -0.5650000    
 C   -2.518700      0.9692000      0.2228000    
 C    2.243800      -1.808700      0.5835000    
 C   -4.897700      0.1247000      0.3285000    
 C   -1.289000       1.168600     -0.6602000    
 C   -6.041600     -0.5245000     -0.4537000    
 C  -0.1104000       1.741700      0.1065000    
 C   -7.280700     -0.7996000      0.4009000    
 C   -8.394200      -1.508800     -0.3544000    
 H    2.672900     -0.1102000      -1.283200    
 H    4.109100      0.8559000      -1.630700    
 H    2.720600      0.8875000       1.133400    
 H    4.083400       1.876300      0.6286000    
 H    4.262000      -2.390100       1.039100    
 H    3.780100     -0.8769000       1.780100    
 H    6.149200      0.5802000     -0.4053000    
 H    6.388900     -0.8989000      0.5795000    
 H    5.466700      0.4584000       1.262600    
 H    5.413500      -2.514100     -0.8670000    
 H    5.476000      -1.175000      -2.057800    
 H    3.957800      -2.086200      -1.840500    
 H    2.709200       2.991200      -1.065800    
 H    2.053700       3.160200      0.5699000    
 H   -3.356900     -0.5986000      -1.001600    
 H   -3.948300       1.017000      -1.396600    
 H   -2.828600       1.931600      0.6486000    
 H   -2.262500      0.3179000       1.067900    
 H   0.9312000       1.658800      -1.694200    
 H   -4.620800     -0.5197000       1.171600    
 H   -5.235400       1.080000      0.7480000    
 H  -0.9789000      0.2095000      -1.092400    
 H   -1.527100       1.850100      -1.485600    
 H   -5.690200      -1.469800     -0.8860000    
 H   -6.321700      0.1226000      -1.294100    
 H   -7.665700      0.1476000      0.7969000    
 H   -6.997300      -1.413000       1.264600    
 H   -8.055100      -2.479700     -0.7289000    
 H   -9.252700      -1.677500      0.3031000    
 H   -8.729600     -0.9098000      -1.207000    


%chk=000173219-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173219

0 1
O 1.880665 -0.720221 -2.175017
O 0.092583 -1.559771 -0.911422
O 0.080972 3.273977 0.239242
N 3.627855 -0.824692 0.166772
N 1.333650 2.102294 -1.331561
C 3.916669 0.532054 -0.533900
C 3.337092 1.790695 0.153444
C 2.101371 -1.119726 0.263246
C 4.231429 -0.838125 1.559411
C 4.264103 -1.920596 -0.684493
C 2.592601 2.696836 -0.871851
C -3.262906 0.455187 -0.683508
C -1.970195 1.094278 -0.132876
C 1.289368 -1.148946 -1.090889
C -4.150515 -0.156854 0.423093
C -1.104958 1.713335 -1.256839
C -5.449154 -0.795696 -0.119349
C 0.131033 2.426950 -0.712022
C -6.343710 -1.400514 0.986622
C -7.639637 -2.035435 0.436398
H 3.473131 0.383751 -1.534628
H 5.018099 0.584936 -0.611086
H 2.605486 1.545718 0.944879
H 4.144540 2.370450 0.639179
H 2.004373 -2.098682 0.764016
H 1.655067 -0.347903 0.912136
H 5.318911 -0.672245 1.486138
H 4.031420 -1.813870 2.029701
H 3.773941 -0.039031 2.160755
H 4.072865 -2.896620 -0.210715
H 5.348367 -1.738137 -0.756062
H 3.784610 -1.874641 -1.675306
H 3.245139 2.906178 -1.740550
H 2.338913 3.653407 -0.383287
H -2.990482 -0.334456 -1.412742
H -3.846826 1.219307 -1.240464
H -2.210696 1.880100 0.608542
H -1.379436 0.311955 0.382336
H 1.364350 1.307007 -1.986704
H -3.566926 -0.924649 0.972507
H -4.410422 0.629140 1.163447
H -0.819270 0.926694 -1.979318
H -1.708401 2.468081 -1.801547
H -5.188141 -1.586814 -0.852876
H -6.028228 -0.031334 -0.679743
H -6.600439 -0.608477 1.719961
H -5.764402 -2.164319 1.544995
H -7.408488 -2.848978 -0.277127
H -8.260771 -2.461738 1.246182
H -8.250900 -1.284760 -0.099917


