%chk=000159353.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159353

0 1
 S    4.249000      -1.761400      0.3381000    
 F   -1.315500      -1.726600      0.1901000    
 F   -2.485700       2.826500     -0.1731000    
 O    2.541600       2.828600     -0.1863000    
 O    5.228500       1.865500      7.9400003E-02
 N    1.488800      -1.108000      0.1097000    
 N   -3.250300      0.1728000      3.4200002E-02
 N   -6.033800     -0.4026000      0.2982000    
 N    5.298600     -0.4463000      0.2842000    
 C    1.152800      -2.553800      0.1425000    
 C    1.746800      -3.493500     -0.8493000    
 C   0.2858000      -3.156000     -0.9088000    
 C   0.4558000     -0.1207000      4.3600000E-02
 C    2.832900     -0.7154000      0.1593000    
 C   0.7893000       1.245800     -5.3599998E-02
 C  -0.9107000     -0.4526000      7.4500002E-02
 C    3.210800      0.5773000      7.4800000E-02
 C   -1.898700      0.5342000      8.9999998E-04
 C    2.211900       1.655800     -6.8999998E-02
 C   -3.744900     -0.5448000       1.217000    
 C   -4.240100      0.9936000     -0.6718000    
 C  -0.2002000       2.235300     -0.1290000    
 C   -1.544000       1.874900     -0.1025000    
 C   -5.035700      -1.293700      0.8875000    
 C   -5.514200      0.1904000     -0.9328000    
 C    4.681100      0.7747000      0.1421000    
 H    1.026500      -2.917300       1.157300    
 H    2.356200      -3.118300      -1.662300    
 H    2.020200      -4.484500     -0.5079000    
 H  -0.4126000      -3.931300     -0.6164000    
 H  -3.1300001E-02  -2.567400      -1.761400    
 H   -3.929000      0.1806000       2.020500    
 H   -3.019400      -1.266900       1.605400    
 H   -3.849400       1.336100      -1.637900    
 H   -4.501700       1.871400     -6.7900002E-02
 H   5.7599999E-02   3.288100     -0.2049000    
 H   -4.826000      -2.125700      0.2034000    
 H   -5.443800      -1.728700       1.806300    
 H   -6.275500      0.8513000      -1.361300    
 H   -5.319800     -0.5966000      -1.672500    
 H   -6.876500     -0.9357000      8.5100003E-02
 H    6.304200     -0.5574000      0.3521000    


%chk=000159353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000159353

0 1
S 4.015079 -1.970428 0.585554
F -1.420489 -1.604047 0.604930
F -2.397411 3.056520 -0.310915
O 2.639868 2.828055 -0.607250
O 5.430763 1.681503 0.106914
N 1.394746 -1.123892 0.127043
N -3.333201 0.431232 0.318898
N -5.922388 -0.738627 0.148805
N 5.188044 -0.597904 0.524629
C 1.054434 -2.550472 0.079151
C 1.755462 -3.451453 -0.961699
C 0.275211 -3.099247 -1.114470
C 0.417199 -0.083648 0.053214
C 2.722100 -0.738249 0.198592
C 0.843680 1.254195 -0.234670
C -0.968862 -0.306913 0.249837
C 3.205898 0.553029 0.028581
C -1.979705 0.692646 0.121152
C 2.284443 1.644255 -0.309330
C -3.861707 -0.394546 1.432578
C -4.399138 1.104697 -0.463341
C -0.127923 2.273007 -0.386820
C -1.474064 1.991193 -0.222071
C -4.861485 -1.441882 0.901596
C -5.390129 0.040742 -0.987504
C 4.673149 0.679321 0.200430
H 0.831429 -2.987156 1.057832
H 2.454296 -2.983750 -1.659928
H 2.036884 -4.457899 -0.640567
H -0.485351 -3.853924 -0.901923
H 0.010540 -2.394989 -1.908357
H -4.397886 0.277128 2.135864
H -3.037612 -0.881525 1.971453
H -3.956129 1.649217 -1.310175
H -4.945790 1.827691 0.174365
H 0.222835 3.290003 -0.588574
H -4.297755 -2.180875 0.281399
H -5.317599 -1.977290 1.754235
H -6.226041 0.552830 -1.498491
H -4.856010 -0.592706 -1.739267
H -6.708582 -1.346141 -0.108783
H 6.188798 -0.771999 0.634583


