%chk=000280535.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280535

0 1
S 10.280204 0.363063 -0.021315
F 10.593064 0.830951 -1.499171
O -2.683121 0.908361 0.196184
O 3.523571 -0.951541 -0.352869
O 10.167415 1.595426 0.699875
O 11.296697 -0.606387 0.245792
N -7.250320 -0.557349 0.067515
N -9.556841 -0.110765 -0.801014
N -9.021878 0.095968 1.576721
N -6.910897 -0.426769 2.471155
N -11.253111 0.315797 0.786337
N 2.892821 1.200768 0.259549
N 5.178585 0.617537 0.090682
C -8.191603 -0.509802 -1.158055
C -5.849502 -0.999915 -0.122943
C -4.875991 0.190292 -0.099821
C -7.627628 0.522197 -2.147492
C -8.243910 -1.920599 -1.769488
C -7.752941 -0.273172 1.338645
C -3.428722 -0.283834 -0.199495
C -9.906447 0.095938 0.458227
C -1.306692 0.848475 0.167848
C -0.702422 2.070562 0.535318
C -0.542504 -0.271763 -0.173007
C 1.465454 1.030690 0.214643
C 0.681383 2.157967 0.558257
C 0.851974 -0.176348 -0.148692
C 6.318333 -0.211358 -0.143281
C 3.825471 0.183437 -0.030419
C 8.733116 -0.381260 -0.208761
C 7.586531 0.386190 0.004600
C 6.219673 -1.571949 -0.504916
C 8.642773 -1.727542 -0.560156
C 7.378944 -2.315898 -0.707830
H -5.579259 -1.749051 0.658306
H -5.772328 -1.533875 -1.099229
H -5.105214 0.898132 -0.923609
H -4.998734 0.798507 0.820643
H -8.343369 0.668579 -2.971199
H -6.675992 0.214184 -2.584584
H -7.495067 1.502992 -1.676291
H -7.294826 -2.228986 -2.212252
H -9.010040 -1.949840 -2.559452
H -8.541896 -2.670693 -1.026391
H -3.138170 -0.564276 -1.225812
H -3.188243 -1.095648 0.508571
H -7.351770 -0.160434 3.352544
H -5.968664 -0.063317 2.391278
H -11.437483 0.755934 1.677671
H -11.860503 0.606470 0.031768
H -1.331265 2.921468 0.792994
H -1.002584 -1.214184 -0.455415
H 1.153020 3.098052 0.841345
H 1.455230 -1.053180 -0.415253
H 3.214683 2.130569 0.527676
H 7.678570 1.438684 0.292371
H 5.380081 1.581472 0.361025
H 5.233831 -2.043982 -0.624933
H 9.544891 -2.328635 -0.712983
H 7.301524 -3.369507 -0.984014


%chk=000280535-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280535

0 1
S 10.423624 0.522252 -0.032838
F 10.642022 1.164078 -1.763187
O -2.695419 1.112919 0.373607
O 3.548745 -1.149847 -0.372683
O 10.213419 1.825183 0.886292
O 11.626304 -0.514003 0.205431
N -7.350155 -0.512399 0.073745
N -9.515065 0.122575 -1.003110
N -9.287424 -0.054075 1.436403
N -7.277903 -0.570249 2.461759
N -11.242333 0.740388 0.452406
N 2.967901 1.054262 0.225127
N 5.219050 0.474448 0.018268
C -8.208798 -0.518146 -1.207719
C -5.922358 -0.869132 -0.010760
C -4.967545 0.335383 0.194539
C -7.484735 0.277237 -2.320910
C -8.431062 -1.998281 -1.632360
C -7.995452 -0.378907 1.291076
C -3.499484 -0.086540 0.088895
C -9.967359 0.244204 0.237332
C -1.296821 0.992094 0.313574
C -0.572079 2.177311 0.592074
C -0.596706 -0.197988 0.001902
C 1.540822 0.974031 0.241121
C 0.830613 2.165825 0.555721
C 0.815148 -0.210299 -0.035507
C 6.384651 -0.286100 -0.227092
C 3.873860 0.033816 -0.066834
C 8.798976 -0.368345 -0.293737
C 7.634624 0.369546 -0.052926
C 6.369518 -1.651650 -0.637021
C 8.836246 -1.711137 -0.696634
C 7.579685 -2.339494 -0.860214
H -5.682975 -1.677891 0.714502
H -5.742565 -1.311332 -1.006077
H -5.182739 1.104457 -0.567361
H -5.139667 0.804722 1.180460
H -8.150731 0.302462 -3.198942
H -6.523805 -0.175303 -2.626773
H -7.318636 1.316851 -1.992170
H -7.479535 -2.519323 -1.852632
H -9.059437 -2.020503 -2.539121
H -8.961852 -2.541750 -0.831161
H -3.263383 -0.463608 -0.928759
H -3.252223 -0.882919 0.824414
H -7.800255 -0.426604 3.322491
H -6.305431 -0.853147 2.496107
H -11.550558 0.897219 1.406782
H -11.819413 0.988182 -0.345456
H -1.124425 3.090666 0.830813
H -1.130294 -1.127304 -0.217076
H 1.377617 3.092864 0.772285
H 1.354792 -1.126655 -0.278689
H 3.339090 1.980517 0.447560
H 7.700004 1.414809 0.271413
H 5.387045 1.445485 0.290264
H 5.407596 -2.149852 -0.766188
H 9.780602 -2.236059 -0.863097
H 7.544574 -3.388142 -1.171930


