%chk=000118878.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118878

0 1
 O   0.7448000       1.968600       2.619400    
 O    1.882000      -2.449900       1.761400    
 O   -2.584500      -1.198500       1.949800    
 O    2.521800       1.632700      0.3394000    
 O   -2.818700       1.187100      0.2822000    
 O   0.3527000      -3.117800     -0.6405000    
 O    3.772100       1.665000      -1.593000    
 O   -3.142500       2.836400      -1.290500    
 O  -0.7454000      -2.445900      -2.548800    
 N    1.341800     -0.2282000       2.147100    
 N  -0.9370000      0.4093000       2.276600    
 N  -0.3609000      -1.840300       1.805300    
 C   0.4130000      0.8064000       2.364400    
 C    1.018800      -1.576300       1.891200    
 C   -1.388400     -0.8955000       2.004600    
 C    2.758500      0.1241000       2.190400    
 C   -1.933800       1.454000       2.496800    
 C  -0.7619000      -3.207100       1.482800    
 C    3.274900      0.5275000      0.8214000    
 C   -2.311200       2.146800       1.200200    
 C  -0.8901000      -3.411800     -1.5699999E-02
 C    2.875100       2.108900     -0.8903000    
 C   -3.202000       1.667300     -0.9369000    
 C   0.2838000      -2.637600      -1.916700    
 C    2.004200       3.259800      -1.258800    
 C   -3.710000      0.5530000      -1.784900    
 C    1.655300      -2.378700      -2.436700    
 C    1.434700       4.148100     -0.1955000    
 C   -4.368100     -0.6366000      -1.155900    
 C    2.813400      -3.199000      -1.956900    
 C    1.762000       3.455200      -2.563300    
 C   -3.550900      0.6675000      -3.111700    
 C    1.796500      -1.394800      -3.337100    
 H    3.343300     -0.7208000       2.570000    
 H    2.897000      0.9555000       2.891100    
 H   -1.559000       2.190400       3.216000    
 H   -2.828200      0.9969000       2.936000    
 H   -1.714100      -3.443800       1.970200    
 H  -1.3000000E-02  -3.901000       1.881600    
 H    4.331800      0.8076000      0.8966000    
 H    3.176800     -0.3092000      0.1193000    
 H   -3.077600       2.904400       1.400300    
 H   -1.434600       2.635000      0.7614000    
 H   -1.146300      -4.455300     -0.2272000    
 H   -1.693500      -2.772500     -0.3989000    
 H   0.7007000       3.606500      0.4064000    
 H    2.229900       4.508300      0.4653000    
 H   0.9351000       5.025700     -0.6192000    
 H   -3.636100      -1.234000     -0.6055000    
 H   -5.151500     -0.3163000     -0.4613000    
 H   -4.835700      -1.287600      -1.902200    
 H    3.019100      -2.994800     -0.9014000    
 H    2.596300      -4.266200      -2.070000    
 H    3.727600      -2.986500      -2.521300    
 H    1.134900       4.275300      -2.898300    
 H    2.171600       2.806900      -3.331000    
 H   -3.897700     -0.1100000      -3.785000    
 H   -3.069000       1.528000      -3.564400    
 H    2.769300      -1.153900      -3.753800    
 H   0.9569000     -0.7980000      -3.678300    


%chk=000118878-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118878

0 1
O 0.483262 1.986628 2.872590
O 2.096201 -2.272630 1.787607
O -2.513992 -1.527221 2.108430
O 2.366035 1.339626 0.082201
O -2.826534 1.454506 0.412678
O 0.280806 -3.429724 -0.760060
O 4.004956 1.556619 -1.559157
O -3.162882 3.486108 -0.673778
O -0.232807 -1.208257 -1.267101
N 1.316203 -0.128825 2.283736
N -1.033973 0.263020 2.458224
N -0.219810 -1.916036 1.927225
C 0.272930 0.788964 2.551608
C 1.126435 -1.491604 1.983033
C -1.339381 -1.080799 2.151043
C 2.711404 0.384690 2.277065
C -2.158887 1.198348 2.726765
C -0.502583 -3.333712 1.587392
C 3.293478 0.489994 0.864612
C -2.385332 2.213667 1.606794
C -0.912187 -3.526078 0.118943
C 2.839130 1.797435 -1.156812
C -3.198553 2.229944 -0.696478
C 0.543208 -2.194130 -1.369442
C 1.778175 2.574486 -1.879119
C -3.627887 1.362232 -1.842106
C 1.839074 -2.237796 -2.119407
C 0.386253 2.627078 -1.286976
C -3.506127 -0.140112 -1.706057
C 2.738235 -3.443312 -1.943370
C 2.139060 3.182064 -3.043889
C -4.098966 1.997174 -2.951765
C 2.145214 -1.164117 -2.900401
H 3.340183 -0.301639 2.869370
H 2.678846 1.374361 2.757748
H -1.931173 1.748589 3.655789
H -3.056445 0.576303 2.867180
H -1.326889 -3.678570 2.234174
H 0.412472 -3.907664 1.802355
H 4.295759 0.954383 0.893754
H 3.373168 -0.494562 0.373387
H -3.174443 2.930520 1.899249
H -1.471929 2.783109 1.367993
H -1.288000 -4.551003 -0.030098
H -1.672378 -2.789786 -0.190675
H -0.034654 1.608432 -1.192260
H 0.410084 3.060922 -0.271043
H -0.288513 3.235075 -1.912051
H -2.449748 -0.437698 -1.574980
H -4.048540 -0.502587 -0.814441
H -3.909169 -0.644209 -2.601085
H 2.986104 -3.590717 -0.876641
H 2.237034 -4.367725 -2.281451
H 3.673389 -3.316742 -2.514138
H 1.417985 3.765022 -3.626444
H 3.164625 3.102751 -3.421247
H -4.434552 1.434339 -3.829345
H -4.152990 3.090759 -2.988107
H 3.085221 -1.114428 -3.459265
H 1.458398 -0.315165 -2.985554


