%chk=000287027.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287027

0 1
S 0.001129 0.043760 -0.991853
F -3.495183 -1.441913 -0.241788
F -2.322118 -1.129922 -1.955422
F 3.494697 1.456754 -0.101607
F 2.327896 1.296743 -1.840293
F -2.158322 1.714571 -1.121386
F -3.854453 0.879611 -2.044629
F 3.860671 -0.697570 -2.099863
F 2.161097 -1.609861 -1.259851
F -4.408034 2.624814 0.142634
F -5.192966 0.676957 0.426432
F -3.451255 1.284619 1.473423
F 4.405063 -2.628701 -0.071687
F 5.190489 -0.713818 0.383496
F 3.444842 -1.408707 1.367789
O -2.001140 -1.684635 2.508844
O 1.990940 1.457964 2.653931
O -1.870965 -3.836492 1.893320
O 1.861950 3.655572 2.229493
C -1.249351 -0.698153 0.116386
C 1.247551 0.685232 0.181691
C -2.536916 -0.615681 -0.721833
C 2.538169 0.676170 -0.655805
C -0.846095 -2.119890 0.480486
C 0.842949 2.069726 0.667513
C -3.146783 0.821211 -0.895415
C 3.148687 -0.740115 -0.952613
C -4.045461 1.343887 0.273711
C 4.043017 -1.363711 0.169424
C -1.614329 -2.687055 1.645797
C 1.606744 2.532302 1.880947
H -1.350792 -0.095986 1.059850
H 1.345567 0.002697 1.069135
H -0.941651 -2.822189 -0.385575
H 0.238399 -2.172772 0.745114
H 0.941781 2.845228 -0.133268
H -0.242560 2.099640 0.931599
H -2.512645 -2.027619 3.293571
H 2.499481 1.730733 3.467600


%chk=000287027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287027

0 1
S -0.011639 0.073957 -1.657967
F -3.439054 -1.358519 0.127866
F -3.025421 -0.083228 -1.713066
F 3.427808 1.343733 0.223943
F 2.999024 0.238567 -1.721102
F -1.879262 1.935131 0.072770
F -4.093651 1.389166 0.210892
F 4.080334 -1.408226 0.043352
F 1.860687 -1.930263 -0.096878
F -2.796356 2.020399 2.626822
F -3.603055 -0.090432 2.565607
F -1.369767 0.276588 2.354105
F 2.798487 -2.239033 2.421265
F 3.661107 -0.152364 2.524723
F 1.414894 -0.441957 2.326451
O -1.231112 -3.091994 1.280919
O 1.240332 2.960381 1.549508
O -2.125184 -4.563247 -0.283066
O 2.121706 4.565174 0.115068
C -1.118037 -0.968446 -0.494966
C 1.102004 1.006516 -0.411800
C -2.537232 -0.370965 -0.405211
C 2.522636 0.405782 -0.388096
C -1.178601 -2.415600 -1.040316
C 1.158095 2.497707 -0.822500
C -2.790537 0.914144 0.463396
C 2.785208 -0.950428 0.360848
C -2.650599 0.768177 2.022884
C 2.676238 -0.936101 1.929640
C -1.593224 -3.469158 -0.020684
C 1.589534 3.452806 0.283442
H -0.647537 -0.982197 0.498139
H 0.638398 0.927485 0.581613
H -1.846411 -2.503292 -1.913119
H -0.163722 -2.688185 -1.382534
H 1.814495 2.663720 -1.692518
H 0.139401 2.801730 -1.124142
H -1.479254 -3.810188 1.922801
H 1.499368 3.616060 2.251212


