%chk=000148837.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148837

0 1
 S   -2.114600       2.023900       1.844600    
 S    8.132900      8.7899998E-02 -0.5102000    
 F   -1.829600      -2.671600      -1.442400    
 O   -2.597300       1.554100      -2.043400    
 N    1.943700     -0.6462000      0.1956000    
 N   -2.211500     -0.1210000     -0.4135000    
 N  -0.4174000       2.788200      5.0600000E-02
 C  -0.8781000      0.3024000      1.3000000E-03
 C  -0.3514000     -0.6624000       1.095600    
 C   6.5899998E-02  0.1516000      -1.216000    
 C    1.133700     -0.4502000       1.403000    
 C    1.553300      0.2918000     -0.8628000    
 C   -1.045600       1.744500      0.5355000    
 C    3.367100     -0.5117000      0.5033000    
 C   -2.801900      -1.292100      0.2291000    
 C   -2.964500      0.5564000      -1.417500    
 C    4.225200     -0.7611000     -0.7395000    
 C   -4.356600     -1.3500000E-02  -1.674800    
 C  -0.8040000       3.906400      0.7635000    
 C   -2.569200      -2.511000     -0.3357000    
 C   -3.545900      -1.085500       1.353000    
 C   -1.717000       3.690700       1.774500    
 C    5.692400     -0.6523000     -0.4449000    
 C   -5.108700      0.7364000      -2.763700    
 C  -0.2208000       5.210900      0.3923000    
 C   -3.133100      -3.627800      0.2812000    
 C   -4.109800      -2.202500       1.969700    
 C    6.349000      -1.442200      0.5273000    
 C    6.526000      0.2205000      -1.087000    
 C   -3.903500      -3.473500       1.433800    
 C    7.691300      -1.141200      0.5973000    
 H  -0.4185000      -1.711000      0.7825000    
 H  -0.8997000     -0.5771000       2.040800    
 H  -8.3800003E-02 -0.8319000      -1.683000    
 H  -0.1685000      0.8913000      -1.991000    
 H    1.293500      0.5476000       1.831500    
 H    1.429300      -1.180200       2.167000    
 H    2.074700      8.5400000E-02  -1.801200    
 H    1.779300       1.326800     -0.5782000    
 H    3.631000      -1.242200       1.278200    
 H    3.589300      0.4823000      0.9155000    
 H    4.013700     -3.7599999E-02  -1.533100    
 H    4.019900      -1.759000      -1.148300    
 H   -4.272100      -1.058800      -1.987000    
 H   -4.948100      4.4100001E-02 -0.7559000    
 H   -3.763900     -0.1110000       1.762400    
 H   -2.157700       4.405800       2.454700    
 H   -5.246200       1.788700      -2.493900    
 H   -4.565100      0.7004000      -3.713600    
 H   -6.097000      0.2923000      -2.918700    
 H  -0.3484000       5.950300       1.189300    
 H  -0.7011000       5.596200     -0.5125000    
 H   0.8514000       5.110900      0.1958000    
 H   -2.972600      -4.617400     -0.1364000    
 H   -4.719200      -2.081400       2.860600    
 H    5.882600      -2.197900       1.146200    
 H    6.286100      0.9325000      -1.864600    
 H   -4.344700      -4.342800       1.912400    
 H    8.434200      -1.585200       1.244900    


%chk=000148837-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148837

0 1
S -2.498879 2.314414 1.549273
S 8.333174 -0.279661 -0.221267
F -2.110446 -2.616976 -1.747118
O -2.708432 1.542732 -1.891689
N 1.935359 -0.333664 0.140351
N -2.364706 -0.161608 -0.342225
N -0.331405 2.844990 0.087001
C -0.973995 0.382929 -0.030926
C -0.336000 -0.420810 1.144580
C -0.056410 0.213122 -1.283417
C 1.139412 -0.036119 1.357397
C 1.438016 0.471776 -1.010006
C -1.128251 1.841989 0.381004
C 3.387422 -0.156189 0.382408
C -2.814613 -1.403822 0.234420
C -3.129672 0.487705 -1.335091
C 4.262484 -0.775719 -0.739328
C -4.486935 -0.133730 -1.683922
C -0.703841 4.059543 0.698857
C -2.686037 -2.629778 -0.461003
C -3.411549 -1.451311 1.518819
C -1.821116 3.975099 1.512932
C 5.731370 -0.807070 -0.363240
C -5.348992 0.810073 -2.542060
C 0.103635 5.298214 0.415958
C -3.109284 -3.860912 0.063292
C -3.845756 -2.673989 2.075853
C 6.282708 -1.695488 0.645104
C 6.703147 0.012589 -0.918246
C -3.693797 -3.878989 1.349773
C 7.643480 -1.549918 0.844768
H -0.369832 -1.497516 0.898821
H -0.903064 -0.258417 2.079302
H -0.184042 -0.829992 -1.627097
H -0.406179 0.890320 -2.078696
H 1.216906 1.039389 1.656532
H 1.541327 -0.639756 2.192861
H 1.999747 0.179999 -1.915458
H 1.600478 1.560461 -0.838512
H 3.632452 -0.661880 1.336472
H 3.667009 0.921624 0.506085
H 4.135085 -0.206712 -1.677675
H 3.889912 -1.801346 -0.926449
H -4.303150 -1.079939 -2.231921
H -5.020028 -0.416210 -0.756351
H -3.534440 -0.511460 2.067662
H -2.305258 4.772143 2.073069
H -5.592359 1.735029 -1.991499
H -4.810113 1.107098 -3.456800
H -6.292453 0.311483 -2.828336
H -0.296903 6.170458 0.958201
H 0.095638 5.523335 -0.665841
H 1.158301 5.153427 0.713098
H -2.978067 -4.773277 -0.525830
H -4.303630 -2.685813 3.070079
H 5.677989 -2.426680 1.189590
H 6.589553 0.771735 -1.691277
H -4.029353 -4.829092 1.777827
H 8.302780 -2.086834 1.524091


