%chk=000106085.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106085

0 1
 S   -1.064800      0.8643000       1.267700    
 F   -1.165700       2.077400      -1.017700    
 F   -1.154800     -8.9599997E-02  -1.144800    
 F   -3.615500       2.155900     -2.0900000E-02
 F   -3.442500       1.081600      -1.901100    
 F   -5.311700      0.1507000     -0.2531000    
 F   -3.889300     -0.1741000       1.353500    
 F   -2.460600      -1.914200     -0.3365000    
 F   -3.971700      -1.577400      -1.874000    
 F   -4.536700      -2.430900      5.1500000E-02
 O   -1.474900     -0.4131000       1.820400    
 O   -1.431400       2.098700       1.936100    
 O    4.763100      -1.056200      0.3105000    
 O    4.641600     -0.7150000      -1.962700    
 N   0.6374000      0.8346000       1.043300    
 C   -1.650500      0.9494000     -0.4237000    
 C    1.283200     -0.4628000      0.7276000    
 C   -3.165000      0.9904000     -0.5666000    
 C    2.299500     -0.8266000       1.804500    
 C   -4.003400     -0.1434000      2.4999999E-03
 C    3.009200      -2.150900       1.519300    
 C    1.292600       1.972900      0.3545000    
 C    3.797700      -2.094500      0.2180000    
 C   -3.732900      -1.522400     -0.5466000    
 C    5.099900     -0.4426000     -0.8620000    
 C    6.116400      0.6160000     -0.6087000    
 C    6.143300       1.340400      0.7024000    
 C    6.987300      0.8815000      -1.593500    
 H    1.750300     -0.3893000     -0.2598000    
 H   0.5390000      -1.261900      0.6455000    
 H    3.033700     -2.0300001E-02   1.920800    
 H    1.785000     -0.9061000       2.770600    
 H    2.283000      -2.970400       1.479000    
 H    3.693900      -2.356400       2.350900    
 H    2.340200       2.037700      0.6647000    
 H   0.8145000       2.916600      0.6317000    
 H    1.252800       1.851900     -0.7315000    
 H    4.337000      -3.040100      9.0499997E-02
 H    3.130500      -1.983100     -0.6425000    
 H    5.155900       1.757800      0.9256000    
 H    6.425000      0.6604000       1.512800    
 H    6.859100       2.169400      0.6985000    
 H    7.753100       1.641100      -1.472500    
 H    6.968600      0.3521000      -2.540500    


%chk=000106085-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000106085

0 1
S -1.143003 0.633218 1.326866
F -0.603320 0.670869 -1.465821
F -1.596390 -1.274638 -0.805849
F -2.967954 2.060397 -1.233164
F -3.082321 0.309296 -2.696023
F -5.389070 0.860935 -1.314622
F -4.344953 0.631709 0.710663
F -3.975638 -2.033679 0.336535
F -4.490076 -1.931720 -1.874784
F -6.072878 -1.488142 -0.312876
O -1.575808 -0.680238 2.162759
O -1.715322 2.112251 1.633583
O 5.186937 -1.102213 0.272523
O 3.764655 0.225634 -1.021274
N 0.684502 0.733844 1.373511
C -1.673020 0.124818 -0.726361
C 1.380701 -0.554966 1.122501
C -3.004215 0.648117 -1.309262
C 2.634729 -0.638347 2.025963
C -4.350142 0.189331 -0.632219
C 3.427150 -1.952407 1.825815
C 1.256300 1.972987 0.799166
C 4.103242 -2.115182 0.454150
C -4.716483 -1.342558 -0.624043
C 4.895570 0.024874 -0.504143
C 6.093805 0.920845 -0.622845
C 7.372280 0.534019 0.090533
C 5.954686 2.045004 -1.379681
H 1.668424 -0.631929 0.056024
H 0.690169 -1.377054 1.386246
H 3.298470 0.223570 1.831144
H 2.309973 -0.564651 3.079711
H 2.755208 -2.823502 1.969381
H 4.205392 -2.021189 2.609260
H 2.113293 2.266313 1.431433
H 0.508056 2.781224 0.856727
H 1.602948 1.832944 -0.241076
H 4.629273 -3.081665 0.392030
H 3.390381 -2.020580 -0.383103
H 7.206061 0.428365 1.177508
H 7.743765 -0.443816 -0.264563
H 8.155943 1.292036 -0.076088
H 6.784885 2.746292 -1.514696
H 5.005196 2.269086 -1.877840


