%chk=000178215.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178215

0 1
 S    3.726500      0.3620000      0.8732000    
 F   -1.374800       2.378000     -0.6987000    
 O   -3.366600      -2.167200     -0.7643000    
 O   -3.300800       2.276600      0.5757000    
 O    2.756900      6.4099997E-02 -0.4135000    
 O    1.393400      -2.286300      0.1677000    
 O    3.612600     -0.7303000       1.820400    
 O    3.532600       1.743200       1.273400    
 N   -2.824600      5.5100001E-02 -0.1206000    
 C   -5.016900     -0.5785000     -0.2173000    
 C   -4.996200      0.6848000      0.2029000    
 C   -6.246800      -1.390300     -0.4010000    
 C   -6.201900       1.494600      0.5126000    
 C   -7.463300     -0.7065000      0.2451000    
 C   -7.477600      0.8085000     -4.0000002E-03
 C   -3.634000      -1.026300     -0.4251000    
 C   -3.600000       1.135000      0.2664000    
 C   -1.394100      5.6499999E-02 -0.1952000    
 C  -0.6808000      -1.124900      2.4100000E-02
 C  -0.7046000       1.236200     -0.4869000    
 C   0.7121000      -1.126500     -4.7699999E-02
 C   0.6884000       1.234700     -0.5585000    
 C    1.396700      5.3399999E-02 -0.3390000    
 C    5.364300      0.2524000      0.2185000    
 C   0.6193000      -3.448100      0.4597000    
 C    5.967900       1.390900     -0.2877000    
 C    6.014300     -0.9698000      0.2237000    
 C    7.260600       1.304300     -0.8043000    
 C    7.307100      -1.056400     -0.2928000    
 C    7.930300      8.0799997E-02 -0.8068000    
 H   -6.428400      -1.521800      -1.474200    
 H   -6.121000      -2.387600      3.4699999E-02
 H   -6.271700       1.626200       1.598800    
 H   -6.123400       2.492000      6.6100001E-02
 H   -8.384600      -1.157500     -0.1410000    
 H   -7.450200     -0.8894000       1.327500    
 H   -8.354700       1.257900      0.4755000    
 H   -7.576900      0.9913000      -1.081800    
 H   -1.240100      -2.012300      0.2896000    
 H    1.214700       2.157300     -0.7873000    
 H    1.322400      -4.277300      0.5910000    
 H  -3.6300000E-02  -3.718900     -0.3751000    
 H   7.4600004E-02  -3.343300       1.404300    
 H    5.461100       2.350800     -0.3029000    
 H    5.544500      -1.869100      0.6099000    
 H    7.745200       2.189100      -1.206600    
 H    7.827800      -2.009500     -0.2971000    
 H    8.936500      1.3200000E-02  -1.210000    


%chk=000178215-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178215

0 1
S 3.759017 1.396410 0.642810
F -1.839893 2.596407 -1.299983
O -3.150691 -1.932394 -1.353696
O -3.289902 2.077863 1.126471
O 2.683534 0.940918 -1.159134
O 1.807012 -1.534063 -0.297162
O 2.852826 0.709602 1.815010
O 4.232944 2.949030 0.807755
N -2.820189 0.167710 -0.245816
C -5.010655 -0.684774 -0.287361
C -5.053491 0.483060 0.422473
C -6.194681 -1.566887 -0.560054
C -6.291989 1.072786 1.031491
C -7.371621 -1.169284 0.371829
C -7.550987 0.370197 0.454188
C -3.599234 -0.948177 -0.718773
C -3.672120 1.063485 0.506404
C -1.429082 0.349471 -0.467141
C -0.519523 -0.705111 -0.228968
C -0.927960 1.585254 -0.961401
C 0.861461 -0.531549 -0.463304
C 0.432103 1.802765 -1.152803
C 1.366641 0.747297 -0.921990
C 5.293011 0.367782 0.267427
C 1.350693 -2.815607 0.263176
C 6.536016 1.021197 0.293887
C 5.117463 -0.994367 -0.025467
C 7.684872 0.239012 0.032161
C 6.281139 -1.753942 -0.287153
C 7.556671 -1.140543 -0.254439
H -6.491649 -1.464294 -1.624060
H -5.918530 -2.630370 -0.429864
H -6.250368 0.955391 2.133956
H -6.322518 2.164131 0.852069
H -8.305031 -1.638731 0.011231
H -7.181256 -1.566965 1.388378
H -8.430303 0.614873 1.077426
H -7.754055 0.765303 -0.560763
H -0.917343 -1.654225 0.133708
H 0.802819 2.766974 -1.510646
H 2.253665 -3.440114 0.322338
H 0.607156 -3.294155 -0.400906
H 0.928640 -2.670547 1.274521
H 6.598002 2.092039 0.511472
H 4.112469 -1.425810 -0.071717
H 8.673284 0.709662 0.050890
H 6.189160 -2.818549 -0.526490
H 8.451973 -1.737061 -0.460577


