%chk=000118686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118686

0 1
S 1.047421 0.650678 0.300428
F -0.061337 2.340937 -1.340759
F -0.384578 0.331990 -1.879486
F -1.867982 2.334244 0.571467
F -2.727252 1.339538 -1.069670
F -3.326425 0.211523 1.377899
F -1.289210 -0.018455 1.859662
F -0.946303 -1.886807 -0.231526
F -2.902875 -1.510149 -0.955257
F -2.631325 -2.390083 0.952969
O 0.622551 -0.626079 0.818219
O 1.289427 1.774291 1.154797
O 3.871113 -2.964447 -0.468459
N 2.336112 0.436803 -0.788476
C -0.360056 1.140935 -0.800378
C -1.760506 1.186750 -0.137630
C -2.125483 -0.018271 0.799762
C 2.702945 -0.960823 -1.126142
C 3.463705 1.410379 -0.706785
C -2.146010 -1.439275 0.147815
C 3.257297 -1.784354 0.055269
C 4.267627 1.348215 0.587208
H 3.465880 -0.945046 -1.942271
H 1.812516 -1.469544 -1.561679
H 4.129348 1.230576 -1.583798
H 3.035857 2.433186 -0.842209
H 2.474156 -2.047187 0.792658
H 4.096369 -1.263768 0.565778
H 3.678627 1.685175 1.455335
H 4.638874 0.334799 0.801926
H 5.144768 2.006325 0.534959
H 3.190348 -3.632155 -0.694828


%chk=000118686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118686

0 1
S 1.080044 -0.078177 0.850856
F 0.406373 0.908122 -1.731715
F -0.642939 -1.065781 -1.276239
F -1.263610 2.281625 -0.012015
F -2.349933 1.228852 -1.723146
F -3.752347 1.351733 0.605945
F -2.074408 0.359820 1.805951
F -2.425402 -2.011459 0.583466
F -3.681994 -1.133766 -1.096313
F -4.471493 -1.153119 1.028702
O 0.949889 -1.658718 1.171073
O 0.863442 1.080714 1.955005
O 4.666501 -2.800213 -1.144426
N 2.690332 0.181123 0.079839
C -0.361664 0.211997 -0.773898
C -1.654613 1.009621 -0.494405
C -2.691424 0.422727 0.536451
C 3.133802 -0.889161 -0.844711
C 3.119136 1.590419 -0.114001
C -3.322093 -0.992667 0.249766
C 4.155367 -1.836314 -0.165486
C 4.619092 1.742588 0.207210
H 3.591415 -0.420712 -1.736023
H 2.269814 -1.487450 -1.194943
H 2.906251 1.918034 -1.151249
H 2.528604 2.216366 0.578638
H 3.685733 -2.328768 0.708048
H 5.036639 -1.269113 0.172131
H 4.828520 1.442145 1.247299
H 5.246546 1.137633 -0.470747
H 4.909108 2.801395 0.080272
H 4.000909 -3.519598 -1.284538


