%chk=000149724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149724

0 1
 S    5.863600     -7.8599997E-02  -1.075200    
 F   -5.273200       3.604700      -1.149000    
 O    7.113900      0.5010000      -1.529400    
 O    5.765800     -0.6830000      0.2387000    
 N  -0.4274000      6.2199999E-02  0.9872000    
 N    1.792200      0.7418000       2.636000    
 N   -4.111600     -0.9738000     -0.7223000    
 N    4.608800       1.076100      -1.316500    
 C   -1.676700     -0.2891000      0.4075000    
 C   0.8323000      0.3176000      0.4297000    
 C   -2.569300      0.7163000      2.2000000E-02
 C   -2.002800      -1.637200      0.2274000    
 C    1.930400      0.6525000       1.232700    
 C   -3.792600      0.3231000     -0.5468000    
 C   -3.248200      -1.938100     -0.3494000    
 C    3.176100      0.9028000      0.6568000    
 C    3.334100      0.8203000     -0.7266000    
 C    1.001000      0.2371000     -0.9584000    
 C    2.246500      0.4874000      -1.534200    
 C   -2.267600       2.078800      0.1911000    
 C   -1.125000      -2.668100      0.6056000    
 C   -4.685400       1.319400     -0.9326000    
 C   -3.578600      -3.278400     -0.5312000    
 C   -3.177500       3.055300     -0.2029000    
 C   -1.479300      -4.000000      0.4131000    
 C    2.578200     -0.1100000       3.504200    
 C   0.8731000       1.695900       3.221100    
 C   -4.388900       2.674400     -0.7658000    
 C   -2.708700      -4.305400     -0.1566000    
 C    5.397100      -1.305200      -2.276200    
 H  -0.4097000     -0.1224000       1.985300    
 H    4.020700       1.181700       1.282900    
 H   0.1737000     -2.0199999E-02  -1.614900    
 H    2.358600      0.4188000      -2.613200    
 H   -1.331500       2.411600      0.6313000    
 H  -0.1577000      -2.465200       1.057700    
 H   -5.641200       1.046800      -1.376200    
 H   -4.536400      -3.543600     -0.9756000    
 H    4.557400       1.473000      -2.264500    
 H   -2.942900       4.106900     -7.0600003E-02
 H  -0.8003000      -4.794300      0.7069000    
 H    3.612000      0.2452000       3.564300    
 H    2.582200      -1.143200       3.139900    
 H    2.169200     -0.1226000       4.520400    
 H    1.373700       2.257500       4.017700    
 H   1.1500000E-02   1.186700       3.664500    
 H   0.5114000       2.429200       2.491800    
 H   -2.995100      -5.341600     -0.3110000    
 H    5.346400     -0.8378000      -3.261300    
 H    6.164200      -2.082900      -2.276300    
 H    4.436200      -1.739000      -1.995300    


%chk=000149724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149724

0 1
S 5.970976 0.330344 -1.117777
F -4.779796 3.574294 -2.071022
O 7.352619 0.975301 -1.686189
O 5.911314 -0.418301 0.330965
N -0.343737 -0.232869 0.901684
N 1.722522 0.077640 2.618200
N -4.248629 -1.010507 -0.732217
N 4.543763 1.865833 -1.000402
C -1.609442 -0.460001 0.327921
C 0.790766 0.393161 0.365188
C -2.383983 0.588197 -0.270118
C -2.174114 -1.777490 0.418730
C 1.913031 0.526191 1.262728
C -3.697087 0.240138 -0.813614
C -3.515693 -1.989876 -0.111715
C 3.135301 1.010654 0.772951
C 3.284955 1.375116 -0.599655
C 0.929474 0.779197 -0.996134
C 2.164839 1.240243 -1.477317
C -1.970979 1.966179 -0.300001
C -1.471487 -2.898785 0.982686
C -4.489568 1.265730 -1.440631
C -4.108277 -3.296342 -0.002074
C -2.763038 2.947092 -0.888363
C -2.075676 -4.151962 1.068329
C 2.927863 -0.434575 3.311423
C 0.924725 0.996065 3.480828
C -4.009897 2.561215 -1.467243
C -3.411814 -4.350230 0.581875
C 5.369203 -0.985102 -2.404645
H -0.098117 -0.750576 1.761629
H 4.001739 1.123959 1.428926
H 0.085350 0.665496 -1.681830
H 2.269463 1.503037 -2.537668
H -1.019651 2.255801 0.152978
H -0.437117 -2.781334 1.325281
H -5.460312 0.994314 -1.861350
H -5.120233 -3.416867 -0.400167
H 4.550722 2.223135 -1.978907
H -2.460618 3.997779 -0.910072
H -1.524755 -4.996709 1.495544
H 3.612432 0.374924 3.649924
H 3.491258 -1.103760 2.641551
H 2.609980 -1.005254 4.201938
H 1.509946 1.895346 3.773872
H 0.617774 0.464015 4.398678
H 0.017683 1.329893 2.950728
H -3.873631 -5.340464 0.659559
H 5.452912 -0.517904 -3.395415
H 6.053808 -1.836215 -2.284268
H 4.335932 -1.240769 -2.131522


