%chk=000091751.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091751

0 1
 S    1.729900     -0.7029000       1.789400    
 F    4.529000       2.768600      -1.589300    
 F    5.948700       2.335000      8.2000000E-03
 F    3.888500       2.856900      0.4975000    
 O    1.301400      -1.639300       2.818100    
 O    2.919700      0.1078000       2.001100    
 O   -1.177500      -1.293500      0.9357000    
 O   -5.511900      -1.426200     -0.4992000    
 N   0.4199000      0.3299000       1.398500    
 N   -1.700100      0.9669000      0.6711000    
 N   -3.612100       2.124700     -1.3100000E-02
 N   -3.595300     -0.2725000      9.1399997E-02
 N   -5.575200      0.8837000     -0.6164000    
 C    2.454300     -0.9436000     -0.8481000    
 C    2.827100      0.5028000     -0.8320000    
 C    1.949900      -1.575700      0.2884000    
 C    4.292600      0.7180000     -0.4317000    
 C    2.619100      -1.663700      -2.031300    
 C    1.610200      -2.927900      0.2416000    
 C    4.663000       2.184400     -0.3799000    
 C    2.279600      -3.015900      -2.078000    
 C    1.775300      -3.647900     -0.9416000    
 C  -0.8833000     -0.1054000      0.9859000    
 C   -3.041900      0.9382000      0.2258000    
 C   -4.883300       2.019800     -0.4326000    
 C   -4.867500     -0.2223000     -0.3350000    
 C   -5.599600       3.294400     -0.7236000    
 C   -4.760800      -2.594200     -0.2008000    
 H    2.684700      0.9098000      -1.843600    
 H    2.157600       1.113500     -0.2250000    
 H    4.571100      0.2333000      0.5048000    
 H    4.931600      0.2404000      -1.187100    
 H    3.013300      -1.186500      -2.924800    
 H    1.212700      -3.448000       1.108000    
 H    2.408300      -3.576700      -2.999100    
 H    1.510300      -4.700600     -0.9786000    
 H   0.6155000       1.338500       1.369700    
 H   -1.304900       1.898500      0.7642000    
 H   -5.044300       4.157400     -0.3429000    
 H   -5.724300       3.411500      -1.804200    
 H   -6.587600       3.290400     -0.2530000    
 H   -4.458300      -2.610000      0.8518000    
 H   -3.888800      -2.680600     -0.8578000    
 H   -5.402600      -3.462300     -0.3787000    


%chk=000091751-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091751

0 1
S 1.700495 -0.394150 1.908436
F 4.840833 2.012321 -2.643837
F 6.181716 2.333352 -0.840490
F 4.026939 3.049705 -0.798675
O 1.244861 -1.244730 3.203630
O 2.865988 0.732165 2.047315
O -1.114224 -1.129389 0.811842
O -5.386962 -1.100455 -1.468111
N 0.298932 0.661750 1.303465
N -1.966771 1.092725 0.964673
N -4.040569 2.090959 0.694654
N -3.621384 -0.090593 -0.296506
N -5.796610 0.979159 -0.555783
C 2.631224 -1.152198 -0.726432
C 2.984548 0.288600 -1.065185
C 2.046663 -1.597050 0.480529
C 4.441900 0.644056 -0.659838
C 2.886697 -2.175618 -1.680427
C 1.710712 -2.928334 0.773820
C 4.865281 1.985622 -1.218843
C 2.580192 -3.529091 -1.424506
C 1.989571 -3.911238 -0.198146
C -0.958493 0.097568 1.010411
C -3.254411 0.995309 0.428101
C -5.307154 2.032290 0.170630
C -4.910472 -0.041313 -0.749007
C -6.229106 3.194950 0.408396
C -4.454642 -2.236929 -1.688487
H 2.870762 0.424219 -2.155663
H 2.298168 0.996549 -0.571774
H 4.520293 0.685114 0.439958
H 5.153045 -0.110220 -1.039586
H 3.326653 -1.888751 -2.642917
H 1.238176 -3.174383 1.729557
H 2.793684 -4.285583 -2.187003
H 1.737758 -4.957640 -0.001062
H 0.476760 1.658714 1.478689
H -1.806986 1.994195 1.424451
H -5.720847 3.976692 0.990955
H -6.571961 3.608939 -0.556222
H -7.131830 2.856269 0.947010
H -4.063060 -2.607388 -0.727644
H -3.609655 -1.917328 -2.320181
H -5.072712 -2.990142 -2.196397


