%chk=000124596.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124596

0 1
 O    1.150700     -0.6520000     -0.1104000    
 O   0.6076000     -0.5436000       2.137500    
 O   -3.582000      0.6228000     -0.5073000    
 N    4.384900      0.6112000      0.4755000    
 C    3.330900      -1.194900      -1.067100    
 C    2.498700      -1.006900      0.2145000    
 C    4.748600      -1.598900     -0.6381000    
 C    3.434900      0.1593000      -1.790400    
 C    3.127100      0.1060000       1.072500    
 C    5.321700     -0.5201000      0.2961000    
 C    4.078000       1.191100     -0.8501000    
 C   0.3400000     -0.4570000      0.9558000    
 C   -1.003100     -0.1017000      0.4557000    
 C   -1.302200       1.202100      0.2513000    
 C   -2.032000      -1.121000      0.1715000    
 C  -0.3097000       2.335400      0.5147000    
 C   -2.627500       1.598200     -0.2454000    
 C   -3.279200     -0.6985000     -0.2994000    
 C   -1.834000      -2.499100      0.3474000    
 C  -0.8125000       3.723700      0.2306000    
 C   -2.960300       2.880900     -0.4605000    
 C   -4.299300      -1.611900     -0.5873000    
 C   -2.047100       3.965000     -0.2222000    
 C   -2.850700      -3.416600      6.1099999E-02
 C   -4.083300      -2.973500     -0.4061000    
 H    2.878500      -1.941300      -1.728300    
 H    2.481900      -1.955200      0.7686000    
 H    5.391200      -1.711800      -1.519300    
 H    4.727600      -2.566900     -0.1238000    
 H    2.442400      0.5038000      -2.103500    
 H    4.041000      5.3900000E-02  -2.698100    
 H    2.461700      0.9635000       1.224600    
 H    3.347900     -0.2833000       2.074700    
 H    5.562000     -0.9595000       1.272400    
 H    6.275300     -0.1509000     -0.1015000    
 H    4.995700       1.588600      -1.301600    
 H    3.411800       2.055000     -0.7319000    
 H   0.5832000       2.177700     -0.1029000    
 H  -6.0000003E-04   2.303000       1.566900    
 H  -0.8832000      -2.882000      0.7111000    
 H  -0.1343000       4.553800      0.4052000    
 H   -3.947900       3.142600     -0.8282000    
 H   -5.262300      -1.264900     -0.9524000    
 H   -2.383800       4.976400     -0.4186000    
 H   -2.675000      -4.479000      0.2049000    
 H   -4.871600      -3.686200     -0.6280000    


%chk=000124596-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124596

0 1
O 1.292944 -0.283433 -0.345818
O 0.489292 -2.058976 0.902674
O -3.781928 0.614069 -0.287836
N 4.524343 0.111211 1.208383
C 3.595019 -0.237632 -1.196544
C 2.654330 -0.887524 -0.161874
C 4.976501 -0.939554 -1.053675
C 3.767168 1.279370 -0.908556
C 3.225217 -0.614355 1.274204
C 5.502928 -0.690002 0.410580
C 4.321212 1.441170 0.554528
C 0.238510 -1.005029 0.252344
C -1.110422 -0.419699 0.022672
C -1.311552 0.907438 -0.409310
C -2.297747 -1.279711 0.290756
C -0.194489 1.889612 -0.765781
C -2.662161 1.429660 -0.542193
C -3.597378 -0.725755 0.107024
C -2.256436 -2.648436 0.690603
C -0.592336 3.305432 -1.097169
C -2.957332 2.735865 -0.902285
C -4.784585 -1.453462 0.300160
C -1.904179 3.692175 -1.169458
C -3.436139 -3.396013 0.886205
C -4.705908 -2.804586 0.694091
H 3.189184 -0.393121 -2.211761
H 2.552225 -1.972611 -0.343725
H 5.672812 -0.523114 -1.805264
H 4.879947 -2.022135 -1.262563
H 2.800392 1.798408 -1.029474
H 4.466682 1.710619 -1.649080
H 2.509002 0.001308 1.847570
H 3.365554 -1.561178 1.821993
H 5.672275 -1.644503 0.940890
H 6.461756 -0.141485 0.401180
H 5.290276 1.971797 0.561021
H 3.622033 2.020815 1.184342
H 0.374052 1.464395 -1.619879
H 0.564356 1.892271 0.042098
H -1.285369 -3.111394 0.865711
H 0.221468 4.011963 -1.298511
H -4.009513 3.028628 -0.965208
H -5.741605 -0.949180 0.138340
H -2.176565 4.721145 -1.426827
H -3.359890 -4.443527 1.196060
H -5.622244 -3.383635 0.849562


