%chk=000004726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004726

0 1
 S  -0.8728000       2.636300      7.4999998E-03
 S    4.020400      0.4851000     -0.7701000    
 F    2.241700      -3.189500      0.9951000    
 F    3.329200      -2.512500     -0.7550000    
 F    3.935000      -1.844600       1.223700    
 O  -0.7114000       3.162200      -1.333300    
 O  -0.6552000       3.459100       1.180700    
 O    4.359600       1.899400     -0.7244000    
 O    4.861000     -0.4858000     -8.5800000E-02
 N   -2.402800       1.881600      0.1098000    
 N   -1.587400     -0.1509000       1.165200    
 N    3.846400      9.9999998E-03  -2.401400    
 C   -2.553100      0.9302000       1.234200    
 C   -3.964100      0.3560000       1.199500    
 C   0.1938000       1.239900      0.1756000    
 C  -0.2841000      4.2500000E-02  0.7302000    
 C   -4.217900     -0.4203000     -9.1100000E-02
 C   -5.623700      -1.022800     -0.1073000    
 C    1.507100       1.376800     -0.2839000    
 C   0.6175000      -1.032700      0.7938000    
 C    2.378900      0.2964000     -0.1948000    
 C    1.934900     -0.9085000      0.3422000    
 C   -5.892800      -1.772000      -1.412200    
 C    2.840800      -2.091900      0.4480000    
 C   -7.301000      -2.343900      -1.446000    
 H   -2.419600       1.476200       2.175800    
 H   -4.696800       1.168000       1.287300    
 H   -4.114200     -0.3073000       2.060700    
 H   -2.821700       1.618500     -0.7873000    
 H   -1.800200      -1.017600       1.647300    
 H   -4.128500      0.2219000     -0.9719000    
 H   -3.489200      -1.231000     -0.2068000    
 H   -5.741500      -1.707700      0.7413000    
 H   -6.366100     -0.2247000      1.5900001E-02
 H    1.834600       2.320900     -0.7099000    
 H   0.2735000      -1.979900       1.206300    
 H   -5.761100      -1.096000      -2.265200    
 H   -5.169400      -2.587200      -1.529400    
 H   -7.457900      -3.048800     -0.6234000    
 H   -7.471300      -2.876400      -2.386900    
 H   -8.049400      -1.549100      -1.365400    
 H    3.914800      0.7400000      -3.121000    
 H    4.254200     -0.8902000      -2.682200    


%chk=000004726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004726

0 1
S -0.798110 2.792774 0.074189
S 4.288556 0.682057 -0.703796
F 2.078008 -3.374208 0.416444
F 3.751818 -2.358649 -0.709174
F 3.656683 -2.241290 1.560349
O -0.489710 3.606002 -1.288662
O -0.879188 3.517980 1.519211
O 4.327616 2.288399 -0.957171
O 5.321774 -0.041121 0.314935
N -2.434890 1.890715 -0.107205
N -1.551877 -0.136849 0.985230
N 4.351871 -0.033146 -2.382479
C -2.577247 0.953029 1.022289
C -3.998146 0.350088 1.054597
C 0.319996 1.277026 0.174559
C -0.226688 0.038759 0.632632
C -4.430171 -0.403335 -0.224429
C -5.810219 -1.080625 -0.060747
C 1.651498 1.414744 -0.233110
C 0.674721 -1.068907 0.671051
C 2.500100 0.302181 -0.171150
C 2.019421 -0.953158 0.284475
C -6.282533 -1.810994 -1.338448
C 2.873851 -2.199710 0.393677
C -7.654759 -2.496065 -1.162616
H -2.424214 1.561932 1.936192
H -4.694915 1.185165 1.246647
H -4.061583 -0.324921 1.933830
H -2.444284 1.453658 -1.047318
H -1.843586 -1.063239 1.300337
H -4.481953 0.308146 -1.073117
H -3.678238 -1.172547 -0.497600
H -5.769154 -1.804856 0.780003
H -6.563015 -0.316563 0.223125
H 2.046892 2.372321 -0.596903
H 0.300281 -2.043400 0.999965
H -6.334969 -1.085048 -2.174964
H -5.524978 -2.567373 -1.629160
H -7.621586 -3.252303 -0.355796
H -7.972205 -3.006297 -2.089941
H -8.435815 -1.758345 -0.899307
H 4.879063 0.619137 -2.985384
H 4.732081 -0.991462 -2.349861


