%chk=000276176.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276176

0 1
S -7.181432 1.785222 -0.438224
F -8.423049 0.796095 -0.408065
O -1.641973 -2.020348 -1.183145
O -7.512504 2.731325 0.590978
O -7.096054 2.171613 -1.817424
N 4.733430 0.356719 -0.199002
N 5.620538 2.489470 0.775048
N 7.120441 0.770443 -0.106356
N 6.359701 -1.312127 -0.883104
N -0.667670 -3.079252 0.631358
N 7.947475 2.593159 1.178228
N -2.587431 -1.698316 0.925760
C 4.428026 1.814600 0.251538
C 3.676262 -0.623065 -0.191021
C 3.933089 2.566131 -0.994912
C 3.376043 1.775453 1.364956
C 6.080085 -0.023107 -0.387448
C 3.775199 -1.774178 0.612277
C 2.539146 -0.415738 -0.993880
C 6.826935 1.978560 0.600890
C 1.607511 -2.509120 -0.193138
C 2.741714 -2.710907 0.604716
C 1.512358 -1.357000 -0.989307
C 0.485818 -3.516732 -0.203767
C -3.690078 -0.883068 0.561087
C -5.670079 0.323213 1.311266
C -5.886981 0.769438 -0.007301
C -1.616165 -2.226652 0.015902
C -4.572369 -0.502017 1.592396
C -3.910928 -0.442711 -0.762190
C -4.999307 0.370485 -1.026845
C -6.590542 0.696593 2.418864
H 3.734909 3.617373 -0.741744
H 4.684211 2.569790 -1.793362
H 3.010737 2.134991 -1.401298
H 3.260216 2.781945 1.797221
H 2.394853 1.448814 1.010809
H 3.683066 1.122206 2.191254
H 4.656284 -1.933110 1.236594
H 2.464396 0.482819 -1.613152
H 2.824765 -3.602242 1.226708
H 0.623153 -1.200766 -1.610197
H 0.129798 -3.694040 -1.251098
H 0.814672 -4.508015 0.185804
H 7.329760 -1.475976 -1.144528
H 5.690643 -1.731238 -1.515452
H -0.439804 -2.946323 1.616259
H 7.851021 3.568915 1.426651
H 8.851128 2.332842 0.806191
H -4.413324 -0.842694 2.612336
H -2.552413 -1.993478 1.905897
H -3.234269 -0.745803 -1.570314
H -5.172249 0.715072 -2.057815
H -6.859741 1.775507 2.409243
H -7.545499 0.148703 2.359420
H -6.176425 0.496924 3.416035


%chk=000276176-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276176

0 1
S -8.557962 0.492750 -0.657149
F -9.498740 -0.556617 0.583652
O -2.165829 -2.253044 -1.216430
O -8.916793 2.007510 -0.250151
O -8.919784 -0.074703 -2.117417
N 5.205958 0.430597 -0.124500
N 6.706204 1.891273 1.206313
N 7.550970 0.552640 -0.669490
N 6.170482 -0.922039 -1.831317
N -0.766078 -2.106406 0.648829
N 9.003692 1.596827 0.827965
N -2.921840 -1.194998 0.762001
C 5.341197 1.756486 0.668052
C 4.006848 -0.361029 -0.117297
C 5.049760 2.942602 -0.293088
C 4.367765 1.748224 1.861258
C 6.328382 0.044534 -0.857947
C 4.028819 -1.671524 0.429543
C 2.782714 0.144016 -0.633666
C 7.685106 1.372768 0.474848
C 1.629372 -1.945335 -0.037915
C 2.854283 -2.452650 0.461618
C 1.610457 -0.636792 -0.585422
C 0.362550 -2.792964 -0.004756
C -4.231518 -0.826025 0.389682
C -6.334419 0.284389 1.116016
C -6.835051 -0.023082 -0.174414
C -1.963409 -1.881599 -0.022828
C -5.011240 -0.136334 1.363702
C -4.789669 -1.115441 -0.887410
C -6.106805 -0.711784 -1.161387
C -7.139761 0.997181 2.182701
H 5.229346 3.889993 0.244151
H 5.728470 2.906706 -1.163759
H 4.003870 2.934577 -0.651445
H 4.567738 2.656008 2.453192
H 3.310422 1.749145 1.547600
H 4.559285 0.872967 2.504812
H 4.968133 -2.059863 0.837073
H 2.760395 1.142849 -1.080455
H 2.888751 -3.461645 0.891476
H 0.673672 -0.235479 -0.990008
H 0.011128 -3.028515 -1.026455
H 0.564847 -3.754258 0.505757
H 7.011367 -1.222469 -2.317905
H 5.253428 -1.244064 -2.128446
H -0.620442 -1.762952 1.599705
H 9.209856 2.190632 1.625687
H 9.738221 1.134458 0.301191
H -4.581205 0.077423 2.350604
H -2.649691 -0.938636 1.713719
H -4.193270 -1.644819 -1.631158
H -6.563295 -0.931097 -2.131717
H -7.398703 2.023996 1.868905
H -8.094406 0.472862 2.367499
H -6.576480 1.049148 3.127979


