%chk=000054895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054895

0 1
 S   -7.875000      -2.232100      5.1100001E-02
 F    9.088700      -2.210100     -0.4992000    
 F    7.286900      -3.135100      0.2766000    
 F    7.374200      -2.507200      -1.803500    
 O   -2.626200      -1.135200      0.3055000    
 O   -4.264500       2.379100     -0.6518000    
 O   -8.991300      -2.080100     -0.8716000    
 O   -7.082300      -3.453500      3.2400001E-02
 N    1.148800       1.478300      0.4339000    
 N    3.940500      0.9290000      0.1805000    
 N   -2.533100       1.119000      0.8448000    
 N   -8.435800      -1.966900       1.643100    
 C    1.653100      0.1085000      0.5919000    
 C    1.961300       2.198600     -0.5538000    
 C    3.106900      0.1105000       1.069900    
 C    3.426100       2.269800     -0.1149000    
 C  -0.2566000       1.463800      2.9800000E-02
 C    5.320700      0.6988000      0.1766000    
 C   -1.146500       1.147600       1.222900    
 C    5.817600     -0.5582000     -0.1680000    
 C    6.200000       1.726600      0.5178000    
 C    7.193400     -0.7875000     -0.1713000    
 C    7.576100       1.497700      0.5139000    
 C    8.072800      0.2404000      0.1696000    
 C   -3.168700     -3.8300000E-02  0.4103000    
 C    7.725500      -2.131100     -0.5392000    
 C   -4.598200      0.1037000      3.1300001E-02
 C   -5.455700     -0.9840000      0.1958000    
 C   -5.086200       1.304800     -0.4835000    
 C   -6.801100     -0.8709000     -0.1545000    
 C   -6.431800       1.418500     -0.8334000    
 C   -7.289300      0.3305000     -0.6690000    
 C   -4.850300       3.565100      -1.184200    
 H    1.583500     -0.4421000     -0.3563000    
 H    1.073200     -0.4504000       1.332900    
 H    1.593100       3.225200     -0.6703000    
 H    1.894300       1.713600      -1.537100    
 H    3.453600     -0.9285000       1.109900    
 H    3.168300      0.5107000       2.090300    
 H    3.512100       2.907300      0.7745000    
 H    4.000400       2.736500     -0.9249000    
 H  -0.5522000       2.454200     -0.3428000    
 H  -0.4346000      0.7629000     -0.7966000    
 H   -1.040400       1.917500       1.995600    
 H  -0.9054000      0.1833000       1.679200    
 H    5.141500      -1.362400     -0.4493000    
 H    5.848500       2.713400      0.8053000    
 H   -3.053900       1.987100      0.9203000    
 H    8.260700       2.297000      0.7825000    
 H    9.147500      8.1200004E-02  0.1734000    
 H   -5.076000      -1.915300      0.6084000    
 H   -6.882600       2.318500      -1.236800    
 H   -8.335100      0.4420000     -0.9417000    
 H   -8.105100      -2.604600       2.377500    
 H   -9.411300      -1.667000       1.761300    
 H   -5.224400       3.409800      -2.202000    
 H   -5.614900       3.974100     -0.5149000    
 H   -4.054300       4.314300      -1.250500    


%chk=000054895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054895

0 1
S -7.325197 -2.569153 -0.586877
F 8.657025 -3.031344 0.065588
F 8.027555 -2.547543 2.183180
F 6.535918 -3.468392 0.749599
O -2.529789 -0.574783 0.578705
O -4.905026 2.934284 0.163478
O -8.722188 -2.373102 -1.403712
O -6.140549 -3.574157 -1.069215
N 1.210140 1.633827 0.024613
N 4.001299 0.848733 -0.019799
N -2.539951 1.746608 0.622152
N -7.838251 -3.053317 1.115935
C 1.608548 0.241153 0.347339
C 2.133088 2.174559 -0.998006
C 3.036043 0.217725 0.914165
C 3.582617 2.189725 -0.476241
C -0.221565 1.756007 -0.336784
C 5.369717 0.515045 0.023701
C -1.106440 1.819131 0.935968
C 5.797165 -0.796594 0.396664
C 6.387866 1.455044 -0.335718
C 7.162706 -1.138229 0.388296
C 7.748665 1.088845 -0.348547
C 8.162419 -0.208614 0.013343
C -3.160226 0.527384 0.457813
C 7.578764 -2.512168 0.827212
C -4.643175 0.528010 0.133213
C -5.219307 -0.752908 -0.040359
C -5.493794 1.670269 -0.009438
C -6.580573 -0.864288 -0.334887
C -6.870177 1.524931 -0.320033
C -7.428319 0.243073 -0.483060
C -5.744073 4.135074 0.040947
H 1.557590 -0.410798 -0.560381
H 0.917533 -0.178893 1.098256
H 1.837110 3.211821 -1.240889
H 2.100333 1.574335 -1.942811
H 3.320309 -0.827324 1.106628
H 3.043776 0.759250 1.886197
H 3.666377 2.935699 0.346840
H 4.234532 2.512488 -1.305814
H -0.359015 2.685299 -0.921339
H -0.570573 0.907962 -0.971326
H -0.899260 2.753616 1.485281
H -0.860421 0.968064 1.593536
H 5.071319 -1.568569 0.660903
H 6.126037 2.485093 -0.590366
H -3.106299 2.594252 0.509279
H 8.497758 1.835877 -0.632437
H 9.217945 -0.492840 0.003666
H -4.557788 -1.622298 0.047657
H -7.513083 2.400681 -0.437521
H -8.482982 0.104358 -0.740619
H -7.184838 -3.774455 1.464950
H -8.816226 -3.384591 1.059337
H -6.168165 4.217742 -0.976397
H -6.552161 4.128799 0.794948
H -5.064243 4.977996 0.230886


