%chk=000072299.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072299

0 1
 S    5.248600       1.114600      1.7000001E-02
 F    2.213200      -1.760600       1.069300    
 O   0.5223000     -0.2891000       1.200500    
 O   0.2243000      -2.975800     -0.4700000    
 O    2.289400      -1.584700      -1.661600    
 O    3.953600      0.1157000     -5.7000001E-03
 O    4.891600       2.349500     -0.6571000    
 O    5.743000       1.149100       1.381500    
 N   -1.618100      4.4900000E-02  0.2231000    
 N   -2.563200       2.001200     -0.2755000    
 N   -3.604700      -1.337600      0.4290000    
 N   -5.632200     -4.1900001E-02  2.0500001E-02
 N   -5.580700       2.290900     -0.5115000    
 N    6.418300      0.3036000     -0.9391000    
 C   9.1000004E-03  -1.594900     -0.7511000    
 C    1.326800     -0.8647000     -0.9240000    
 C  -0.5680000     -0.9355000      0.5047000    
 C    1.738500     -0.6133000      0.5139000    
 C    2.773000      0.4747000      0.6973000    
 C   -2.964800     -0.1810000      0.2000000    
 C   -1.426700       1.369500     -6.7800000E-02
 C   -3.532700       1.044100     -0.1112000    
 C   -4.920500       1.089900     -0.1989000    
 C   -4.940200      -1.168600      0.3165000    
 H  -0.6341000      -1.537800      -1.633700    
 H    1.140700      8.8399999E-02  -1.433600    
 H   -1.000200      -1.668200       1.196400    
 H    3.008500      0.5882000       1.761500    
 H    2.396900       1.437400      0.3333000    
 H   0.7830000      -3.047900      0.3223000    
 H    2.452200      -2.424100      -1.198700    
 H  -0.4455000       1.821400     -0.1197000    
 H   -5.541700      -2.055300      0.4859000    
 H   -6.589800       2.298500     -0.5703000    
 H   -5.051800       3.136600     -0.6765000    
 H    6.804100     -0.5677000     -0.5532000    
 H    6.221200      0.2330000      -1.945700    


%chk=000072299-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072299

0 1
S 4.573235 1.339741 -0.208215
F 2.276049 -2.209420 1.203721
O 0.484440 -0.663509 1.292137
O 0.685871 -3.001917 -0.968305
O 2.860767 -1.420596 -1.413612
O 4.116214 0.103691 1.196025
O 3.171792 2.030716 -0.644691
O 5.838831 2.198815 0.275268
N -1.399802 -0.033690 -0.070446
N -2.259126 2.016300 -0.645666
N -3.506448 -1.196288 0.547673
N -5.474880 0.253749 0.279039
N -5.336778 2.486446 -0.481005
N 5.087998 0.242892 -1.469362
C 0.421782 -1.558557 -0.963746
C 1.757440 -0.797330 -0.717151
C -0.480525 -1.115050 0.217437
C 1.827972 -0.816837 0.842252
C 2.717543 0.162125 1.610611
C -2.791859 -0.122547 0.116983
C -1.143749 1.281468 -0.524239
C -3.298507 1.148184 -0.251886
C -4.712750 1.314938 -0.156273
C -4.846020 -0.916429 0.601542
H -0.034564 -1.346071 -1.939607
H 1.722167 0.250382 -1.055940
H -1.084323 -1.949283 0.614988
H 2.722528 -0.116688 2.679625
H 2.300487 1.181684 1.502488
H 1.011802 -3.273485 -0.065359
H 2.667897 -2.396937 -1.472816
H -0.139559 1.652644 -0.718587
H -5.495503 -1.727445 0.942883
H -6.349152 2.547044 -0.390794
H -4.790811 3.284421 -0.799512
H 6.074288 -0.027374 -1.368639
H 4.368650 -0.503285 -1.629021


