%chk=000131557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131557

0 1
 S   -1.167100      -2.177000     -0.2071000    
 F   -1.550500       2.892200      0.1211000    
 O   -1.446500      -2.594700       1.206500    
 O    3.424600       2.343500      3.7999999E-02
 O    5.722400       1.233900      0.6157000    
 O    6.079100     -0.6928000     -0.5636000    
 N   -2.625000      0.4072000     -4.1800000E-02
 N   -5.480900      0.3621000     -1.3000000E-03
 N    1.955400      -1.458700     -6.0600001E-02
 C   -3.341400      0.2859000       1.234200    
 C   -3.384700       1.011100      -1.140800    
 C   -1.232700      0.5423000     -3.8999999E-03
 C  -0.3708000     -0.5658000     -5.9999999E-02
 C   -4.712500     -0.3594000       1.020900    
 C   -4.755300      0.3431000      -1.277200    
 C    1.028100     -0.3909000     -3.0500000E-02
 C    1.465100      -2.831800      8.9599997E-02
 C   0.2672000      -3.102400     -0.7938000    
 C    1.513200      0.9407000      1.5200000E-02
 C  -0.7267000       1.836100      6.2300000E-02
 C   0.6463000       2.039900      6.5300003E-02
 C    3.312300      -1.184900     -5.9799999E-02
 C   -6.809000     -0.2299000     -0.1575000    
 C    2.977400       1.203400      8.0000004E-03
 C    3.875800      2.7000001E-02 -3.7200000E-02
 C    5.335900      0.1198000     -4.1700002E-02
 H   -2.772200     -0.3200000       1.949000    
 H   -3.460400       1.282500       1.678800    
 H   -3.518400       2.085100     -0.9631000    
 H   -2.841900      0.8953000      -2.087000    
 H   -4.582600      -1.412700      0.7374000    
 H   -5.251000     -0.3428000       1.976200    
 H   -5.325600      0.8840000      -2.042200    
 H   -4.626200     -0.6877000      -1.634200    
 H    1.238600      -3.022500       1.146600    
 H    2.252100      -3.543800     -0.1904000    
 H   0.4584000      -2.824800      -1.835900    
 H   3.1000001E-03  -4.164100     -0.7664000    
 H    1.023300       3.057900      0.1081000    
 H    3.920100      -2.084500     -6.9799997E-02
 H   -7.395100      0.3307000     -0.8942000    
 H   -7.363900     -0.1828000      0.7861000    
 H   -6.762300      -1.277000     -0.4783000    
 H    6.698400       1.331100      0.6340000    


%chk=000131557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131557

0 1
S -1.297178 -2.075535 -0.225081
F -1.421133 3.153242 -0.345796
O -1.561648 -2.705351 1.318324
O 3.543276 2.432591 -0.313687
O 6.015720 1.170903 -0.025202
O 6.008248 -1.124308 0.267219
N -2.663635 0.585884 -0.026095
N -5.503338 0.123744 0.047238
N 1.881096 -1.379253 0.182100
C -3.308402 0.014942 1.195846
C -3.586503 1.460946 -0.792477
C -1.273568 0.725764 -0.119914
C -0.405868 -0.408185 -0.052227
C -4.585097 -0.749490 0.815566
C -4.844173 0.652965 -1.167303
C 1.013000 -0.274601 -0.006516
C 1.327218 -2.744607 0.377558
C 0.305034 -3.066164 -0.703389
C 1.603233 1.017363 -0.166155
C -0.622775 1.991122 -0.288737
C 0.755008 2.139906 -0.329641
C 3.240756 -1.193560 0.201692
C -6.793787 -0.528035 -0.245450
C 3.084865 1.256889 -0.154871
C 3.882034 0.032707 0.048434
C 5.363937 -0.047994 0.107671
H -2.613675 -0.665832 1.714015
H -3.577006 0.853189 1.873536
H -3.887382 2.341916 -0.190862
H -3.082964 1.815325 -1.706514
H -4.302975 -1.668973 0.242939
H -5.093611 -1.075423 1.741377
H -5.552236 1.321561 -1.692122
H -4.553311 -0.165245 -1.876553
H 0.817786 -2.822168 1.363244
H 2.166255 -3.458494 0.359008
H 0.608133 -2.777304 -1.721712
H -0.032401 -4.112118 -0.656276
H 1.223806 3.124418 -0.428946
H 3.856747 -2.086178 0.351580
H -7.468418 0.189095 -0.746661
H -7.271976 -0.843486 0.698880
H -6.695782 -1.429703 -0.901400
H 6.996787 1.001333 0.032064


