%chk=000179326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179326

0 1
S 5.401550 0.849638 0.353493
F 0.225278 2.017777 0.845946
O -1.810379 -2.417664 0.020599
O -1.800012 2.215973 -0.263467
O 2.857949 -2.244901 -1.345762
O 6.671110 0.464527 -0.215011
O 4.918324 2.202285 0.242297
N -1.394905 -0.100394 -0.109692
N 4.284883 -0.221610 -0.411092
C -3.631358 -0.760485 0.093629
C -3.633739 0.585374 0.005301
C -4.840338 -1.605870 0.237724
C -4.842803 1.440587 0.055923
C -6.047573 -0.737053 0.642736
C -6.107041 0.582244 -0.145808
C -2.218227 -1.287084 0.011061
C -2.222322 1.103599 -0.139799
C 0.035422 -0.104096 -0.190870
C 0.702695 -1.210778 -0.764731
C 0.813458 0.961585 0.286794
C 2.086504 -1.219343 -0.832132
C 2.879225 -0.121786 -0.345468
C 2.212538 0.977527 0.197138
C 5.327667 0.366461 2.024783
C 2.165639 -3.346742 -1.982727
H -5.042263 -2.130335 -0.722475
H -4.673180 -2.411395 0.984074
H -4.881522 1.968692 1.034913
H -4.791835 2.244847 -0.708961
H -6.982979 -1.307410 0.490220
H -5.994252 -0.517259 1.727379
H -6.999999 1.160444 0.157679
H -6.234096 0.363396 -1.224417
H 0.115898 -2.058515 -1.125605
H 2.759719 1.876440 0.516499
H 4.635755 -0.953642 -1.052644
H 5.615411 1.176146 2.714603
H 4.325411 0.052911 2.357083
H 5.995079 -0.476511 2.262576
H 1.534964 -3.868879 -1.255897
H 3.004185 -3.977981 -2.304146
H 1.589060 -2.988618 -2.840644


%chk=000179326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179326

0 1
S 5.253021 0.511054 -0.241998
F -0.028145 0.887081 2.344688
O -2.087823 -2.641220 0.030094
O -1.599298 2.046788 0.203108
O 2.887038 -2.271935 -1.227330
O 6.576315 -0.224739 -0.850289
O 4.272962 1.414641 -1.182447
N -1.432698 -0.344314 0.220008
N 4.196482 -0.932213 0.799653
C -3.733241 -0.783639 0.030175
C -3.593629 0.574587 0.100165
C -5.044633 -1.507112 -0.078454
C -4.727161 1.557269 0.049122
C -6.210623 -0.535187 0.249079
C -6.022084 0.847080 -0.430909
C -2.377481 -1.422045 0.086077
C -2.135138 0.918013 0.195567
C -0.025083 -0.500184 0.347158
C 0.691889 -1.329532 -0.547875
C 0.685391 0.145431 1.389745
C 2.085105 -1.480454 -0.409011
C 2.801100 -0.795968 0.634025
C 2.068930 0.024502 1.529614
C 5.797518 1.588819 1.229187
C 2.259017 -2.957114 -2.364381
H -5.156044 -1.916363 -1.103690
H -5.053521 -2.385778 0.594057
H -4.874927 1.996271 1.057307
H -4.465592 2.408335 -0.607957
H -7.168862 -0.984660 -0.069148
H -6.267912 -0.393435 1.346401
H -6.896372 1.491175 -0.225542
H -5.974192 0.706874 -1.528988
H 0.141095 -1.836163 -1.342616
H 2.584473 0.517607 2.357998
H 4.548371 -1.747540 0.251337
H 6.449040 2.365755 0.805447
H 4.879409 2.005561 1.663951
H 6.324220 0.916769 1.918375
H 1.494353 -3.676928 -2.016869
H 3.079366 -3.490500 -2.864406
H 1.808264 -2.224486 -3.059328


