%chk=000056069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056069

0 1
 S    2.887100     -0.9225000     -0.6534000    
 F    6.407200       3.716600      0.1247000    
 F   -3.796400       2.266400       2.056500    
 F   -4.670800       2.879200      0.1687000    
 F   -5.713400       1.450400       1.433700    
 O    2.097200      -3.648400      0.4859000    
 O    1.743200     -0.4645000      -1.420400    
 O    3.698600      -2.026300      -1.133100    
 O  -0.1166000      -3.029400     -0.7776000    
 N  -0.6802000      -1.291200      0.6861000    
 N   -6.599400      0.8460000      -1.824800    
 C    1.398700      -2.528200       1.029300    
 C    2.345800      -1.325600      0.9818000    
 C    1.050200      -2.870600       2.481700    
 C   0.1165000      -2.322300      0.2005000    
 C    3.945700      0.4728000     -0.4181000    
 C   -1.917300     -0.8374000      0.1691000    
 C    5.296800      0.2669000     -0.1973000    
 C    3.405100       1.746600     -0.4603000    
 C   -2.568900      0.2125000      0.7943000    
 C    6.132600       1.368400     -1.3100000E-02
 C    4.241000       2.848000     -0.2764000    
 C   -2.449200      -1.453300     -0.9514000    
 C   -3.788100      0.6594000      0.2844000    
 C    5.604800       2.658900     -5.2900001E-02
 C   -4.337600      4.9899999E-02 -0.8435000    
 C   -3.668000      -1.006300      -1.461500    
 C   -4.477200       1.794000      0.9726000    
 C   -5.587200      0.4897000      -1.385600    
 H    1.876000     -0.4284000       1.397600    
 H    3.255300      -1.542000       1.554900    
 H    1.939700      -3.209100       3.025400    
 H   0.3260000      -3.692600       2.524300    
 H   0.6234000      -2.019600       3.021800    
 H  -0.3514000     -0.7853000       1.504500    
 H    1.541700      -4.437500      0.6066000    
 H    5.724800     -0.7299000     -0.1561000    
 H    2.345200       1.914200     -0.6250000    
 H   -2.130000      0.6791000       1.672200    
 H    7.194200       1.221600      0.1628000    
 H    3.830100       3.852900     -0.3051000    
 H   -1.995700      -2.273800      -1.486600    
 H   -4.083900      -1.491500      -2.341700    


%chk=000056069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056069

0 1
S 2.674995 -0.507682 -0.602525
F 7.509892 3.067314 -0.196890
F -4.684253 1.346940 2.529524
F -5.395100 2.430064 0.670780
F -6.447927 0.543509 1.355155
O 2.159014 -3.412878 0.796129
O 1.446164 0.406140 -1.178621
O 3.175937 -1.888164 -1.347019
O 0.024521 -2.742867 -0.780387
N -0.928243 -1.339025 0.839527
N -6.749666 0.777620 -2.193298
C 1.353122 -2.300094 1.252037
C 2.191917 -0.993072 1.233990
C 0.986022 -2.638517 2.716236
C 0.083613 -2.157440 0.330707
C 4.190758 0.608197 -0.436460
C -2.120278 -0.928665 0.193325
C 5.459039 0.002354 -0.415736
C 3.980535 1.997461 -0.412814
C -3.033322 -0.146816 0.948193
C 6.591319 0.841759 -0.331036
C 5.113270 2.836672 -0.329208
C -2.425672 -1.252309 -1.155663
C -4.230521 0.312477 0.378000
C 6.385389 2.234353 -0.282538
C -4.549283 -0.004549 -0.977367
C -3.625821 -0.788599 -1.719987
C -5.172621 1.141904 1.214624
C -5.759289 0.435893 -1.617504
H 1.672469 -0.088230 1.588344
H 3.157063 -1.152727 1.740431
H 1.911288 -2.891612 3.259983
H 0.330756 -3.525163 2.731489
H 0.489743 -1.807288 3.250484
H -0.802674 -0.991105 1.792688
H 2.378812 -3.274262 -0.174536
H 5.559569 -1.085031 -0.494582
H 2.968282 2.407477 -0.489826
H -2.812283 0.108539 1.989840
H 7.606482 0.436527 -0.312689
H 5.021024 3.925815 -0.309812
H -1.727216 -1.854536 -1.737623
H -3.861225 -1.032583 -2.759863


