%chk=000062924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062924

0 1
 S    4.411200      -1.521000      0.5315000    
 F   -1.398900     -0.2727000       1.278800    
 F   -3.906900       2.787500     -0.5002000    
 F    6.421600      -3.135600      0.2210000    
 O    2.869700      0.5524000       1.880500    
 O  -0.1166000      -2.080800      -1.545800    
 O    5.147900      0.8347000     -0.4096000    
 O   -6.201300     -0.9478000       1.698600    
 C    1.719200      0.1265000     -0.2798000    
 C   0.6456000       1.199000      5.4000001E-03
 C  -0.7152000      0.9003000     -0.6446000    
 C   -1.258300     -0.4608000     -8.9299999E-02
 C    2.920900      0.7712000      0.4762000    
 C    1.350400       2.514100     -0.3253000    
 C    1.203300      -1.211600      0.2889000    
 C    2.826400       2.280800      9.5799997E-02
 C  -0.2055000      -1.604900     -0.2106000    
 C   -2.711900     -0.7871000     -0.6160000    
 C   -1.702200       2.046100     -0.3632000    
 C    2.048100     -2.3800001E-02  -1.790100    
 C   -3.106200       1.744400     -0.8677000    
 C   -3.595700      0.4308000     -0.3109000    
 C    3.269900       3.247900       1.189500    
 C    4.252900      0.1859000      0.1186000    
 C   -2.780600      -1.061300      -2.135600    
 C   -3.244500      -2.039600      6.5200001E-02
 C   -4.711100      0.3699000      0.4337000    
 C   -4.352800      -2.103400      0.8089000    
 C   -5.172700     -0.8992000       1.032600    
 C    6.093500      -1.841400     -3.6600001E-02
 H   0.4676000       1.225600       1.093300    
 H  -0.5946000      0.8318000      -1.730300    
 H    1.293100       2.730900      -1.398500    
 H   0.8944000       3.357800      0.2035000    
 H    1.146100      -1.165600       1.382400    
 H    1.867700      -2.037000      2.4000000E-02
 H    3.437600       2.497700     -0.7900000    
 H  -0.5188000      -2.447400      0.4183000    
 H   -1.355300       2.973300     -0.8352000    
 H   -1.743400       2.259300      0.7135000    
 H    2.546600      0.8581000      -2.204100    
 H    2.712600     -0.8763000      -1.967200    
 H    1.160100     -0.1866000      -2.404200    
 H   -3.120400       1.716000      -1.962100    
 H    4.305900       3.052700       1.484300    
 H    3.210100       4.282100      0.8340000    
 H    2.637600       3.165600       2.079700    
 H   -3.816700      -1.015600      -2.496900    
 H   -2.207500     -0.3361000      -2.720800    
 H   -2.415600      -2.058300      -2.402100    
 H   -2.694200      -2.966000     -8.4200002E-02
 H    2.953500     -0.3993000       2.058300    
 H  -0.5818000      -2.933500      -1.585800    
 H   -5.311900       1.249000      0.6406000    
 H   -4.680700      -3.035500       1.254200    
 H    6.809100      -1.203000      0.4881000    
 H    6.176000      -1.680500      -1.114600    


%chk=000062924-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062924

0 1
S 4.788391 -1.401167 1.138975
F -1.503668 -0.325611 1.325668
F -4.038102 2.865599 -0.029436
F 7.510185 -1.146160 0.927585
O 2.684360 0.362044 1.811151
O -0.374000 -2.137317 -1.651474
O 4.860089 0.245507 -1.080129
O -6.282259 -1.225749 1.724876
C 1.626895 0.027348 -0.358895
C 0.612581 1.156819 0.007520
C -0.782263 0.940240 -0.612244
C -1.342475 -0.438421 -0.157863
C 2.902207 0.609216 0.384750
C 1.369875 2.470252 -0.299844
C 1.087658 -1.296955 0.223874
C 2.873201 2.147867 0.019947
C -0.347123 -1.634856 -0.259200
C -2.811198 -0.707495 -0.697839
C -1.746035 2.081440 -0.189827
C 1.904828 -0.082106 -1.880458
C -3.197299 1.822327 -0.625673
C -3.681223 0.452635 -0.201401
C 3.480613 3.044271 1.118249
C 4.220155 -0.047348 -0.051533
C -2.873749 -0.745741 -2.269792
C -3.315599 -2.055440 -0.215748
C -4.793716 0.273724 0.565814
C -4.431429 -2.221564 0.545116
C -5.243905 -1.067036 1.002861
C 6.400163 -1.812533 0.277726
H 0.483538 1.100911 1.106337
H -0.695718 0.920223 -1.716046
H 1.251419 2.765978 -1.359809
H 1.005542 3.310182 0.317662
H 1.068781 -1.217423 1.324271
H 1.749695 -2.153295 -0.023172
H 3.485632 2.264870 -0.892484
H -0.745387 -2.425219 0.409848
H -1.404355 3.040188 -0.617930
H -1.736720 2.173318 0.911376
H 2.350761 0.836630 -2.295739
H 2.612288 -0.905146 -2.089859
H 0.976083 -0.304395 -2.428053
H -3.310545 1.957444 -1.720108
H 4.518079 2.750674 1.371979
H 3.520498 4.090808 0.768295
H 2.868016 3.035079 2.039275
H -3.930366 -0.836011 -2.576352
H -2.461700 0.168349 -2.731033
H -2.303397 -1.603992 -2.651805
H -2.750228 -2.924023 -0.577917
H 3.354066 0.862202 2.343549
H 0.386279 -2.761024 -1.768130
H -5.390765 1.130204 0.894253
H -4.784316 -3.215033 0.844933
H 6.349282 -1.457152 -0.764593
H 6.553681 -2.898436 0.366595


