%chk=000162786.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162786

0 1
 S    2.798300     -0.1449000     -0.7243000    
 F   0.1701000      -1.534300      -1.469300    
 F  -0.7038000      -3.082700     -0.2223000    
 F   0.8933000      -2.509500       1.824000    
 F    1.916200      -3.002900     -2.7000001E-02
 F  -0.5267000      0.3564000      0.5253000    
 F   -1.431900      -1.264600       1.659000    
 F    1.441000      0.1495000       1.470000    
 F    3.118800      -1.220300       1.608900    
 F   -3.010900      -1.919900     -0.4235000    
 F   -2.128800     -0.3513000      -1.649700    
 F   -3.737800     -9.7999997E-02   1.475200    
 F   -2.831600       1.517800      0.3285000    
 F   -4.451400      0.8116000      -1.838600    
 F   -5.326400     -0.7559000     -0.6090000    
 F   -6.118800       1.083900       1.249500    
 F   -6.819100       1.502200     -0.7733000    
 F   -5.215600       2.694400      8.3600000E-02
 O    1.843900      0.7997000      -1.274000    
 O    3.277300      -1.250200      -1.533000    
 O    4.269300       4.132200       1.125200    
 O    4.967800       3.238800     -0.8468000    
 N    4.146600      0.7352000     -0.1270000    
 C  -0.1092000      -1.854600     -0.1823000    
 C    1.196400      -2.019200      0.5857000    
 C   -1.109500     -0.8626000      0.3963000    
 C    2.107600     -0.8170000      0.7872000    
 C   -2.418100     -0.6934000     -0.3678000    
 C   -3.417500      0.2982000      0.2110000    
 C   -4.722700      0.4654000     -0.5533000    
 C    5.403000     -2.9000000E-03  0.1484000    
 C    3.916300       1.836700      0.8389000    
 C    6.292700     -1.5799999E-02  -1.088500    
 C   -5.719600       1.445800      1.2400000E-02
 C    7.593400     -0.7758000     -0.8700000    
 C    4.447400       3.108100      0.2511000    
 H    5.956900      0.4501000      0.9787000    
 H    5.178600      -1.028600      0.4602000    
 H    4.384100       1.635600       1.806900    
 H    2.844400       1.985400      0.9992000    
 H    5.762800     -0.4626000      -1.936900    
 H    6.530600       1.013300      -1.382000    
 H    8.176500     -0.3276000     -5.9300002E-02
 H    7.395900      -1.821700     -0.6149000    
 H    8.202400     -0.7557000      -1.779200    
 H    4.607700       4.980800      0.7680000    


%chk=000162786-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162786

0 1
S 2.906552 0.585501 -0.570942
F 0.200264 -1.065458 -1.462168
F -0.733427 -2.878388 -0.417486
F 0.717039 -2.471728 1.859115
F 1.946755 -2.652638 -0.051325
F -1.014896 0.681563 0.085270
F -1.438732 -0.825104 1.756223
F 1.193489 0.411216 1.750489
F 3.024300 -0.941085 1.834786
F -3.312649 -2.100702 0.363007
F -2.630930 -1.222991 -1.641430
F -3.640834 0.815708 1.173642
F -3.525417 1.213997 -1.076005
F -5.437462 -1.155459 -1.277937
F -5.745363 -0.784415 0.959494
F -6.076202 2.081497 0.253123
F -7.626028 0.554981 -0.399317
F -6.170275 1.396140 -1.914418
O 2.047929 1.955878 -0.624376
O 3.127914 -0.402221 -1.826738
O 5.574325 3.956271 1.973605
O 6.395742 3.139421 -0.046060
N 4.510759 0.951052 0.125099
C -0.201220 -1.583363 -0.211420
C 1.094412 -1.780661 0.670521
C -1.353206 -0.663473 0.356355
C 1.935133 -0.535943 1.035685
C -2.777531 -0.953019 -0.263942
C -3.809379 0.231371 -0.101568
C -5.320693 -0.194773 -0.247821
C 5.571303 -0.082741 -0.021722
C 4.532843 1.983719 1.159914
C 6.410102 0.073318 -1.307958
C -6.309206 0.984878 -0.587469
C 7.520582 -0.997817 -1.366131
C 5.604926 3.049743 0.909179
H 6.212620 0.002524 0.878176
H 5.116877 -1.093320 0.004951
H 4.701055 1.561063 2.170965
H 3.557977 2.508878 1.180615
H 5.740132 -0.027356 -2.181073
H 6.838776 1.089410 -1.332958
H 8.214575 -0.912207 -0.508156
H 7.098626 -2.020609 -1.363159
H 8.116223 -0.884665 -2.288875
H 6.252117 4.671108 1.831439


