%chk=000003372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003372

0 1
 S    4.726400      -1.716000      0.3908000    
 F    3.419600       4.864300      0.6196000    
 F    2.211700       4.345400      -1.105400    
 F    1.402700       4.100600      0.8983000    
 O   -9.080100      0.5687000       1.102200    
 N   -2.896600      0.2513000     -0.6959000    
 N   -5.584700     -0.2312000      0.2524000    
 N    1.905300     -0.9366000     -0.6574000    
 C   -3.201300     -0.8789000      0.1900000    
 C   -4.066300      0.5904000      -1.515500    
 C   -4.415100     -0.5684000       1.072700    
 C   -5.280500      0.8997000     -0.6330000    
 C   -1.740700     -4.7200002E-02  -1.539200    
 C  -0.4869000     -0.3403000     -0.7095000    
 C   -6.741700      6.5700002E-02   1.094700    
 C   0.7714000     -0.6132000      -1.533000    
 C   -7.979100      0.3012000      0.2436000    
 C    2.715500      0.1393000     -0.2144000    
 C    2.064500      -2.291000     -0.2692000    
 C    4.005500     -8.8799998E-02  0.3043000    
 C    3.290000      -2.760000      0.2439000    
 C    2.261200       1.476100     -0.2369000    
 C    1.003300      -3.219600     -0.3428000    
 C    3.055300       2.535400      0.2110000    
 C    4.802200      0.9812000      0.7491000    
 C    3.440400      -4.102600      0.6342000    
 C    4.328400       2.288000      0.7013000    
 C    1.156700      -4.551800      5.1300000E-02
 C    2.377500      -4.994400      0.5371000    
 C    2.535300       3.932600      0.1556000    
 H   -3.382800      -1.796700     -0.3853000    
 H   -2.386200      -1.077900      0.8911000    
 H   -3.847600       1.476600      -2.123800    
 H   -4.310900     -0.2281000      -2.206400    
 H   -4.171400      0.2513000       1.762400    
 H   -4.633300      -1.453800       1.682300    
 H   -5.096700       1.815700     -5.5399999E-02
 H   -6.100400       1.102800      -1.327600    
 H   -1.945600     -0.8987000      -2.201300    
 H   -1.528200      0.8168000      -2.181400    
 H  -0.3247000      0.5037000     -2.9600000E-02
 H  -0.6589000      -1.187000     -4.6599999E-02
 H   -6.944700     -0.7767000       1.768900    
 H   -6.563100      0.9345000       1.742600    
 H   0.5874000      -1.426600      -2.247900    
 H   0.9972000      0.2418000      -2.183700    
 H   -7.892800       1.173100     -0.4082000    
 H   -8.217400     -0.5791000     -0.3627000    
 H    1.280400       1.740100     -0.6194000    
 H   2.7899999E-02  -2.965900     -0.7427000    
 H    5.803300      0.8066000       1.138500    
 H    4.390300      -4.468500       1.019000    
 H    4.965700       3.094300       1.052300    
 H   -9.860100      0.6981000      0.5361000    
 H   0.3215000      -5.241200     -3.1399999E-02
 H    2.503200      -6.029200      0.8407000    


%chk=000003372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003372

0 1
S 4.965009 -1.729156 -0.017798
F 3.527551 4.883389 0.656861
F 1.921054 4.253471 -0.822263
F 1.566467 4.020492 1.398270
O -9.334383 0.600022 0.998382
N -2.960728 0.147297 -0.681076
N -5.711012 0.037876 0.261983
N 2.009195 -0.929697 -0.727516
C -3.375103 -0.792961 0.391198
C -4.104655 0.425216 -1.587334
C -4.571429 -0.227033 1.174125
C -5.294262 0.991706 -0.796059
C -1.765589 -0.306371 -1.427113
C -0.485297 -0.321662 -0.565079
C -6.938342 0.462093 0.978253
C 0.765178 -0.570907 -1.452192
C -8.204994 0.122933 0.180794
C 2.821912 0.119642 -0.215969
C 2.205996 -2.301957 -0.373311
C 4.163694 -0.107704 0.220978
C 3.474121 -2.795005 0.046451
C 2.337610 1.452215 -0.144734
C 1.136717 -3.240298 -0.440988
C 3.153411 2.503199 0.334667
C 4.952432 0.937168 0.739248
C 3.655694 -4.140042 0.420888
C 4.461714 2.258202 0.794790
C 1.328008 -4.598259 -0.105969
C 2.584079 -5.057829 0.339257
C 2.568760 3.881825 0.390295
H -3.660123 -1.790008 -0.033704
H -2.534484 -0.943903 1.091230
H -3.782099 1.163739 -2.345315
H -4.438983 -0.500467 -2.121642
H -4.241623 0.701243 1.705093
H -4.889784 -0.963616 1.934809
H -4.998736 1.978887 -0.358702
H -6.138468 1.165478 -1.487588
H -1.918646 -1.324971 -1.879081
H -1.618498 0.395870 -2.272433
H -0.416864 0.641977 -0.029792
H -0.544448 -1.106105 0.210123
H -6.990872 -0.077618 1.941231
H -6.941410 1.553472 1.214478
H 0.552170 -1.389844 -2.164196
H 0.975843 0.322876 -2.067498
H -8.196299 0.628362 -0.808272
H -8.251648 -0.973065 0.017392
H 1.322467 1.689240 -0.465753
H 0.141259 -2.919760 -0.754698
H 5.969494 0.717595 1.079156
H 4.644462 -4.472527 0.755090
H 5.084859 3.071633 1.173885
H -10.186099 0.375730 0.547344
H 0.482503 -5.290041 -0.183810
H 2.735221 -6.106142 0.614013


