%chk=000148795.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148795

0 1
 S   -6.023900      -1.590100      0.7921000    
 F    3.909300      -4.524600     -0.3240000    
 F    5.633200      -3.220000     -0.4969000    
 F    4.747200      -3.593600       1.453500    
 O   -2.517600      0.8814000      -2.701400    
 O   -7.408100      -1.552300       1.225600    
 O   -5.680900      -2.050000     -0.5390000    
 N  -0.2350000       1.031400      -1.063300    
 N    3.546900       1.404100      0.7050000    
 N   -5.309800     -5.7000000E-02   1.116700    
 C    1.047400       1.157900     -0.4635000    
 C    1.862300      2.9700000E-02 -0.3256000    
 C    1.483400       2.409300     -1.6500000E-02
 C    3.122100      0.2011000      0.2728000    
 C    2.757900       2.487600      0.5698000    
 C   -1.502500      0.7614000     -0.5310000    
 C    1.449600      -1.240100     -0.7656000    
 C    3.938100     -0.9183000      0.4129000    
 C    3.531200      -2.181600     -2.3399999E-02
 C   0.6852000       3.559700     -0.1421000    
 C    2.284400      -2.343300     -0.6139000    
 C   -2.631200      0.6897000      -1.356800    
 C    3.197700       3.730800       1.016700    
 C   -1.649600      0.5592000      0.8468000    
 C   -4.024300      0.2199000      0.5602000    
 C   -3.887200      0.4200000     -0.8134000    
 C    1.148200       4.790600      0.3128000    
 C   -2.905600      0.2895000       1.390400    
 C    2.407000       4.876000      0.8934000    
 C    4.435700      -3.355200      0.1462000    
 C   -5.144100      -2.600700       1.962200    
 C   -2.266900     -0.2724000      -3.501100    
 H  -0.2191000       1.200400      -2.064700    
 H   0.4829000      -1.400800      -1.235500    
 H    4.918600     -0.8070000      0.8743000    
 H  -0.3021000       3.529300     -0.5957000    
 H    1.946000      -3.314900     -0.9617000    
 H    4.180600       3.823600       1.475300    
 H  -0.7970000      0.6065000       1.519200    
 H   -4.756300      0.3805000      -1.465800    
 H   0.5303000       5.677800      0.2136000    
 H   -3.000700      0.1338000       2.461900    
 H    2.778100       5.831900       1.251500    
 H   -5.429600      0.2851000       2.079700    
 H   -5.292000      -2.195600       2.964900    
 H   -5.555700      -3.611200       1.908600    
 H   -4.085700      -2.622200       1.697500    
 H   -3.100900     -0.9774000      -3.425800    
 H   -1.335200     -0.7612000      -3.199700    
 H   -2.172400      4.6900000E-02  -4.542500    


%chk=000148795-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148795

0 1
S -5.878106 -2.355246 0.452458
F 4.095105 -4.346068 0.453758
F 5.384321 -3.026299 1.778518
F 3.435866 -3.882126 2.567152
O -2.507327 1.347315 -2.242310
O -7.188043 -2.816827 1.298229
O -5.972408 -1.960700 -1.125665
N -0.288458 1.239964 -0.856356
N 3.808291 1.503688 0.447462
N -5.118256 -0.678359 1.387780
C 1.045127 1.295748 -0.397477
C 1.761816 0.133102 0.034748
C 1.730447 2.555938 -0.439410
C 3.140079 0.309369 0.480817
C 3.129819 2.597194 -0.026840
C -1.418859 0.687963 -0.233736
C 1.228240 -1.202435 -0.022966
C 3.873998 -0.834871 0.951035
C 3.301507 -2.099475 0.921799
C 1.097332 3.782136 -0.843715
C 1.971435 -2.293224 0.406975
C -2.649112 0.756531 -0.976044
C 3.841419 3.845467 -0.094193
C -1.449532 0.142744 1.076134
C -3.867904 -0.271744 0.877561
C -3.853447 0.300851 -0.432399
C 1.817247 4.974491 -0.891895
C -2.647335 -0.364992 1.610471
C 3.205695 5.005226 -0.526554
C 4.050309 -3.300843 1.418671
C -4.572496 -3.779087 0.563624
C -3.711853 1.463392 -3.077200
H -0.518974 1.784259 -1.694989
H 0.226136 -1.362277 -0.428231
H 4.893444 -0.666040 1.307256
H 0.029953 3.789825 -1.090105
H 1.559306 -3.304877 0.342532
H 4.891740 3.835695 0.211679
H -0.533761 0.115264 1.672408
H -4.799333 0.364465 -0.974388
H 1.319025 5.901126 -1.196403
H -2.648701 -0.799915 2.617304
H 3.755937 5.950920 -0.574665
H -5.081959 -0.986126 2.380792
H -4.530347 -4.085086 1.617834
H -4.962247 -4.573590 -0.087879
H -3.624114 -3.365131 0.194360
H -4.460066 2.121362 -2.597395
H -4.153863 0.467852 -3.264643
H -3.367193 1.909050 -4.021198


