%chk=000050302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050302

0 1
 S    1.942500      -2.739000      0.1718000    
 F    6.344300      -2.950100      0.5160000    
 F    4.515900      -3.550100       1.516300    
 F    4.693900      -3.767400     -0.6401000    
 O   -2.578400      -1.712300     -0.9188000    
 N   0.4909000       1.425300     -0.1507000    
 N   -6.841500     -0.5684000      0.2567000    
 N  -0.8401000       1.314500     -0.3081000    
 N   -3.389800      0.4363000     -0.7171000    
 C    1.160700      0.2387000     -0.2563000    
 C   0.1934000     -0.7130000     -0.5038000    
 C    2.590600      6.8999999E-03 -0.1153000    
 C   0.4566000      -2.150200     -0.7272000    
 C   -1.016500      8.8000000E-03 -0.5269000    
 C    3.051600      -1.318000      5.2200001E-02
 C   -5.435400     -0.2378000      0.4483000    
 C   -4.779600      7.8000002E-02 -0.8879000    
 C    4.425400      -1.557700      0.1959000    
 C   -2.342000     -0.4991000     -0.7425000    
 C    3.515000       1.060100     -0.1468000    
 C   0.9922000       2.723600     -3.7799999E-02
 C   -6.984200      -1.722700     -0.6328000    
 C   -7.488700     -0.8365000       1.542700    
 C    5.334200     -0.5001000      0.1588000    
 C    4.880200      0.8050000     -1.2100000E-02
 C    4.986200      -2.931900      0.3957000    
 C    1.235200       3.465000      -1.186000    
 C    1.237300       3.255400       1.220900    
 C   -8.447500      -2.036800     -0.8943000    
 C   -7.353300      0.3490000       2.483100    
 C    1.733000       4.763200      -1.073400    
 C    1.735000       4.553600       1.333500    
 C    1.982900       5.307400      0.1862000    
 H   0.6077000      -2.336800      -1.795700    
 H  -0.3779000      -2.771000     -0.3919000    
 H   -4.896000      -1.051400      0.9517000    
 H   -5.312400      0.6583000       1.066400    
 H   -4.783200     -0.7632000      -1.583800    
 H   -5.271500      0.9281000      -1.373800    
 H    3.267200       2.093200     -0.3167000    
 H   -3.169000       1.415100     -0.5567000    
 H   -6.577300      -1.516100      -1.625500    
 H   -6.474400      -2.611600     -0.2405000    
 H   -8.564900     -0.9860000       1.408600    
 H   -7.085700      -1.736200       2.024600    
 H    6.403000     -0.6659000      0.2625000    
 H    5.591400       1.625400     -4.8599999E-02
 H    1.045300       3.052300      -2.173500    
 H    1.047800       2.678000       2.122000    
 H   -8.932200      -2.516100     -3.8300000E-02
 H   -9.013400      -1.139700      -1.168200    
 H   -8.528500      -2.740600      -1.730600    
 H   -6.349300      0.4327000       2.910500    
 H   -7.613600       1.292400       1.990600    
 H   -8.039600      0.2246000       3.328500    
 H    1.926500       5.350000      -1.966600    
 H    1.929800       4.977500       2.314200    
 H    2.370700       6.318100      0.2739000    


%chk=000050302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050302

0 1
S 1.878692 -2.667358 0.416718
F 6.416756 -3.036495 0.556897
F 4.474984 -3.507325 1.616265
F 4.722247 -3.999859 -0.585575
O -2.610123 -1.703742 -0.970881
N 0.598368 1.512454 -0.217061
N -6.827047 -0.755749 0.343962
N -0.782959 1.399787 -0.361314
N -3.385064 0.487126 -0.688570
C 1.234674 0.268802 -0.356900
C 0.211084 -0.673298 -0.569397
C 2.671490 -0.033582 -0.358532
C 0.470030 -2.133620 -0.749854
C -1.007898 0.063730 -0.576121
C 3.099533 -1.360569 -0.009336
C -5.454890 -0.235385 0.545351
C -4.805878 0.133618 -0.815325
C 4.495203 -1.643756 0.032668
C -2.390607 -0.463518 -0.760882
C 3.644639 0.928571 -0.739064
C 1.127028 2.794406 0.172335
C -6.839719 -2.210488 0.019182
C -7.773965 -0.388991 1.429576
C 5.445596 -0.649933 -0.299409
C 5.018404 0.629521 -0.703169
C 5.008530 -3.014890 0.395629
C 0.675513 3.952853 -0.500866
C 2.038486 2.891195 1.250186
C -8.054784 -2.624900 -0.832204
C -8.208251 1.088080 1.372723
C 1.159008 5.217534 -0.102133
C 2.522974 4.160176 1.633242
C 2.087732 5.325543 0.959586
H 0.770791 -2.393651 -1.778827
H -0.405962 -2.737086 -0.469960
H -4.795315 -0.969926 1.065015
H -5.496231 0.667487 1.182004
H -4.874494 -0.731483 -1.497132
H -5.358063 0.974094 -1.270285
H 3.319131 1.919927 -1.065447
H -3.100404 1.449733 -0.486680
H -5.915080 -2.440486 -0.541811
H -6.799185 -2.829932 0.950361
H -8.672687 -1.022417 1.316501
H -7.350388 -0.621015 2.439895
H 6.510398 -0.892589 -0.256560
H 5.752585 1.387195 -0.991741
H -0.045900 3.851424 -1.316541
H 2.351840 1.990633 1.786923
H -9.010131 -2.431180 -0.311015
H -8.065192 -2.059025 -1.779977
H -8.012848 -3.705653 -1.063895
H -7.350736 1.775067 1.495300
H -8.682615 1.305832 0.399980
H -8.931364 1.310835 2.179667
H 0.812174 6.116836 -0.622076
H 3.227925 4.237829 2.467640
H 2.462464 6.308416 1.264232


