%chk=000299586.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299586

0 1
S 3.209355 -0.072510 0.577468
F -4.534480 0.144214 2.856786
F -5.314543 -1.338932 1.560686
F -3.380064 -1.572472 2.391762
F -3.101048 -1.976510 -0.520199
F -2.789587 -0.217095 -1.644237
F -4.761083 -0.860153 -1.235540
O 4.735727 -3.379503 -1.072091
O -4.532653 1.148973 0.467101
O 4.308768 0.554287 1.279784
O 2.443009 -1.129412 1.213841
O -2.475658 2.517163 -0.428673
N 3.845849 -0.642071 -0.927845
C 5.293275 -0.998539 -0.906789
C 3.045062 -1.702187 -1.603410
C -3.580331 0.136536 0.644252
C 5.537628 -2.415295 -0.359917
C 3.323189 -3.094496 -1.010405
C 2.074881 1.141877 0.063972
C -2.172692 0.638351 0.992788
C -0.217555 1.910331 -0.106194
C -1.679239 1.752045 0.087764
C 0.712174 0.936901 0.284223
C -4.199309 -0.662954 1.844807
C -3.560371 -0.726592 -0.670144
C 2.524501 2.318535 -0.542760
C 0.239088 3.090610 -0.730015
C 1.602361 3.293175 -0.942473
H 5.666743 -0.929328 -1.955495
H 5.860335 -0.243038 -0.313580
H 3.325504 -1.691696 -2.684086
H 1.963647 -1.458750 -1.554612
H 5.324608 -2.496113 0.720938
H 6.564275 -2.770752 -0.563127
H 2.892312 -3.908509 -1.619332
H 2.974742 -3.179069 0.038175
H -1.453359 -0.213089 1.032524
H -2.160800 1.048706 2.035411
H 0.372226 0.006439 0.765770
H 3.595810 2.483916 -0.705973
H -0.493544 3.844141 -1.045449
H 1.950717 4.210266 -1.420124
H -4.152469 1.948094 -0.045084


%chk=000299586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299586

0 1
S 3.314603 -0.027076 0.588242
F -4.408981 -0.181999 2.777048
F -5.499289 -1.308608 1.149663
F -3.418453 -1.956956 1.776373
F -2.359768 -1.591537 -0.781567
F -2.849437 0.367613 -1.804762
F -4.486454 -1.150932 -1.428643
O 4.809095 -3.535400 -0.964748
O -4.578498 1.181178 0.295536
O 4.682628 0.745581 1.029388
O 2.512766 -1.031956 1.607352
O -2.517772 2.810950 0.033487
N 3.685730 -0.828141 -1.136007
C 5.154166 -1.095240 -1.264733
C 2.851422 -2.058826 -1.335212
C -3.606386 0.146546 0.500341
C 5.619881 -2.378755 -0.549724
C 3.394688 -3.312018 -0.615367
C 2.049192 1.281099 0.072928
C -2.243246 0.648772 1.081791
C -0.248699 2.030920 0.057145
C -1.700740 1.883326 0.352279
C 0.711808 1.042362 0.405821
C -4.249080 -0.833192 1.536029
C -3.346852 -0.575671 -0.871807
C 2.502819 2.444481 -0.568860
C 0.181167 3.218119 -0.602280
C 1.539727 3.425264 -0.908694
H 5.326495 -1.181203 -2.355233
H 5.704246 -0.214110 -0.889856
H 2.857967 -2.223177 -2.430462
H 1.810106 -1.850494 -1.030215
H 5.561131 -2.244106 0.552374
H 6.657028 -2.628348 -0.827101
H 2.860629 -4.215262 -0.952506
H 3.281140 -3.201758 0.482346
H -1.527524 -0.184099 1.115720
H -2.436206 0.962992 2.126107
H 0.461810 0.121091 0.942397
H 3.567356 2.586651 -0.780054
H -0.575519 3.965602 -0.860419
H 1.855498 4.345180 -1.409819
H -4.073191 2.046632 0.136203


