%chk=000067921.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067921

0 1
 S    2.257300     -0.3599000     -0.2216000    
 F   -1.506700      -2.763400      -1.318200    
 F  -0.3419000     -0.9761000      -1.724200    
 F  -0.1760000      -3.271200      0.9263000    
 F    1.056500      -3.114800     -0.8549000    
 F   -1.160000      3.4899998E-02  0.7952000    
 F   -2.345600      -1.768900       1.065500    
 F   0.6298000     -0.7898000       1.756000    
 F    2.154400      -2.309500       1.478900    
 F   -3.660100      -1.323500      -1.244000    
 F   -2.488400      0.4728000      -1.621800    
 F   -3.312000       1.471600      0.8732000    
 F   -4.499800     -0.3326000       1.157200    
 F   -4.658700       1.910000      -1.537900    
 F   -5.823700      0.1124000      -1.155700    
 F   -6.720900       1.144100       1.210100    
 F   -7.090100       2.423700     -0.5171000    
 F   -5.533700       2.951600      0.9061000    
 O    1.470400      0.8425000     -0.4221000    
 O    2.755400      -1.103000      -1.363800    
 O    6.196700      0.8007000      0.1129000    
 O    7.650300      0.7049000      -1.681000    
 N    3.573500      2.2100000E-02  0.8131000    
 C  -0.8266000      -1.743700     -0.7177000    
 C   0.3388000      -2.372100      3.6300000E-02
 C   -1.815400     -0.9426000      0.1190000    
 C    1.306400      -1.482000      0.8032000    
 C   -2.983900     -0.3112000     -0.6299000    
 C   -3.971900      0.4893000      0.2067000    
 C   -5.137200       1.118500     -0.5428000    
 C    4.714100     -0.9234000      0.8795000    
 C    3.298100      0.6662000       2.120200    
 C    5.762900     -0.5287000     -0.1442000    
 C   -6.121800       1.913800      0.2776000    
 C    4.015900       1.998600       2.195100    
 C    7.145900       1.290600     -0.7361000    
 C    7.468200       2.669200     -0.3136000    
 C    8.379300       3.379100     -0.9855000    
 H    5.172100     -0.9083000       1.875100    
 H    4.380800      -1.950500      0.7022000    
 H    2.226800      0.8666000       2.220700    
 H    3.568400      1.9099999E-02   2.960900    
 H    6.617000      -1.212000     -7.0900001E-02
 H    5.354800     -0.5844000      -1.159300    
 H    5.100400       1.861800       2.235100    
 H    3.783700       2.626100       1.328300    
 H    3.717700       2.539400       3.098900    
 H    6.956800       3.092500      0.5435000    
 H    8.615300       4.391500     -0.6749000    
 H    8.907300       2.984000      -1.846300    


%chk=000067921-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067921

0 1
S 2.187718 0.338900 -0.099968
F -1.671512 -2.576230 -1.403579
F -0.538211 -0.595441 -1.615440
F -0.332337 -3.227654 0.895877
F 0.984609 -2.770054 -0.907616
F -1.714462 0.502242 0.476803
F -2.365619 -1.498857 1.378521
F 0.373794 -0.610792 1.948987
F 2.107458 -2.021410 1.491377
F -4.230948 -1.919014 -0.472387
F -3.344826 -0.385184 -1.926589
F -4.085887 1.698803 -0.446097
F -4.397481 0.439666 1.438344
F -6.150799 -0.186714 -1.669224
F -6.595692 -0.719467 0.511756
F -6.658303 2.200922 1.027482
F -8.262191 1.233551 -0.256920
F -6.634817 2.467398 -1.232085
O 1.340233 1.671150 0.234189
O 2.525008 -0.162616 -1.599475
O 6.702685 0.839332 0.052859
O 7.920032 1.054836 -1.930899
N 3.765917 0.416142 0.790770
C -1.056822 -1.523275 -0.685222
C 0.164419 -2.169405 0.079398
C -2.170831 -0.798601 0.168067
C 1.076462 -1.244406 0.917202
C -3.566293 -0.675098 -0.563239
C -4.513939 0.439637 0.030251
C -6.038269 0.260637 -0.333331
C 4.763929 -0.600380 0.360773
C 3.665589 0.843477 2.214589
C 5.768175 -0.067328 -0.661461
C -6.906403 1.569015 -0.198430
C 4.826914 1.785502 2.582884
C 7.758541 1.353212 -0.724081
C 8.599701 2.258449 0.098633
C 9.685514 2.879210 -0.431020
H 5.289296 -0.958953 1.264805
H 4.257567 -1.472189 -0.096161
H 2.707970 1.382438 2.333599
H 3.651044 -0.043627 2.881107
H 6.348125 -0.899647 -1.102476
H 5.266242 0.480715 -1.476538
H 5.805443 1.302350 2.428659
H 4.795935 2.696794 1.963515
H 4.732772 2.070023 3.647061
H 8.296294 2.398260 1.141326
H 10.309805 3.550724 0.167210
H 9.959050 2.718957 -1.480508


