%chk=000176668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176668

0 1
 O   -3.381800      -1.659600      -1.414900    
 O   0.8670000      -1.516500      -1.046700    
 N    1.700900      -1.402200       1.117600    
 N   -2.297600      -2.374000     -0.9199000    
 C    3.036400     -0.9681000      0.7773000    
 C    3.036000      0.3860000      5.5399999E-02
 C    3.659200      -2.050300     -0.1239000    
 C    3.839600     -0.8718000       2.087500    
 C   0.7190000      -1.642100      0.1663000    
 C  -0.6043000      -2.075700      0.7954000    
 C   -1.784200      -1.609100      4.8300002E-02
 C    4.031700      0.6419000     -0.8560000    
 C    2.040300       1.285300      0.3511000    
 C   -2.495300     -0.4049000      0.2147000    
 C   -3.497500     -0.4855000     -0.7363000    
 C   -2.424500      0.7304000       1.035300    
 C    4.031600       1.872700      -1.512200    
 C    2.040300       2.516200     -0.3051000    
 C   -3.380700       1.739600      0.8533000    
 C    3.035900       2.810000      -1.236900    
 C   -4.462000      0.4961000     -0.9444000    
 C   -4.379600       1.622300     -0.1190000    
 C   -3.330500       2.959500       1.713200    
 H    1.473500      -1.538000       2.098700    
 H    3.467600      -3.050500      0.2869000    
 H    3.268100      -2.048000      -1.147300    
 H    4.750400      -1.961200     -0.1855000    
 H    3.864500      -1.835200       2.610500    
 H    3.398200     -0.1388000       2.773800    
 H    4.875200     -0.5642000       1.901600    
 H  -0.5888000      -3.171300      0.8518000    
 H  -0.6600000      -1.712700       1.828800    
 H    4.839200     -4.3099999E-02  -1.083100    
 H    1.267200       1.093500       1.087700    
 H   -1.649600      0.8220000       1.790600    
 H    4.810100       2.104600      -2.233200    
 H    1.267900       3.248000     -8.6800002E-02
 H    3.037200       3.769400      -1.745900    
 H   -5.232100      0.3961000      -1.699500    
 H   -5.114400       2.414700     -0.2447000    
 H   -2.304800       3.179500       2.028500    
 H   -3.693900       3.839500       1.171600    
 H   -3.948200       2.815400       2.605100    


%chk=000176668-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176668

0 1
O -4.140969 -2.144588 -0.163201
O 0.517453 -1.331951 -0.902418
N 1.686275 -1.642824 1.092201
N -2.925702 -2.889498 0.244859
C 2.984154 -1.043652 0.646823
C 2.780266 0.462530 0.340549
C 3.538332 -1.847329 -0.556065
C 3.962919 -1.183834 1.846763
C 0.559408 -1.743068 0.292895
C -0.639092 -2.423551 0.988507
C -1.976069 -1.958864 0.474722
C 3.294320 1.077903 -0.825699
C 2.102729 1.276545 1.286592
C -2.459851 -0.611180 0.241927
C -3.812466 -0.779659 -0.147828
C -1.902516 0.691377 0.303747
C 3.140501 2.467030 -1.040360
C 1.947074 2.663264 1.077442
C -2.720645 1.796956 -0.010618
C 2.470116 3.267784 -0.089953
C -4.659209 0.295678 -0.469373
C -4.087104 1.580471 -0.387771
C -2.168720 3.212178 0.031610
H 1.646533 -2.017075 2.042739
H 3.620923 -2.912248 -0.275701
H 2.866847 -1.764538 -1.425048
H 4.546059 -1.491776 -0.834369
H 4.126955 -2.249859 2.093858
H 3.583813 -0.659379 2.743026
H 4.936912 -0.737282 1.586923
H -0.569869 -3.516426 0.829715
H -0.590979 -2.254211 2.083311
H 3.799974 0.477377 -1.587375
H 1.683736 0.820058 2.192150
H -0.847831 0.841759 0.554468
H 3.539091 2.920843 -1.954774
H 1.424080 3.272454 1.824190
H 2.352648 4.344384 -0.256582
H -5.698140 0.139814 -0.770588
H -4.707199 2.451354 -0.633124
H -1.084823 3.213091 0.237311
H -2.327238 3.733555 -0.930772
H -2.665495 3.816289 0.814990


