%chk=000218944.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218944

0 1
S 1.262247 -2.678791 0.644156
F -6.740294 -0.194673 -0.250805
O 3.719306 -0.232986 -0.908408
O -0.658055 1.535694 -0.081127
N 1.743143 0.027115 0.353267
N -0.513962 -0.760642 0.281353
C 3.210332 -0.127295 0.433419
C 3.782908 1.101353 1.170463
C 3.635736 2.372178 0.324191
C 3.677302 -1.459509 1.076245
C 4.240726 2.161019 -1.068731
C 3.585938 0.951519 -1.735168
C 3.067915 -2.664820 0.387003
C 0.887504 -0.916741 0.388724
C -1.201284 0.468042 0.039969
C -2.686031 0.254123 -0.034251
C -3.499224 0.830221 0.952570
C -3.246443 -0.462109 -1.101072
C -4.885956 0.679510 0.890149
C -4.631091 -0.620868 -1.185168
C -5.417886 -0.045082 -0.181688
H 4.850854 0.922416 1.397035
H 3.266296 1.234305 2.140444
H 4.119418 3.225097 0.832323
H 2.557234 2.629234 0.232232
H 3.451617 -1.452422 2.160944
H 4.784994 -1.514660 0.994381
H 4.098118 3.062240 -1.692924
H 5.333566 2.005245 -0.989500
H 2.510884 1.116251 -1.930948
H 4.103682 0.630878 -2.655600
H 3.283146 -2.643439 -0.703972
H 3.460037 -3.617207 0.790958
H -1.081336 -1.611318 0.392652
H -3.047664 1.401764 1.767259
H -2.603127 -0.890508 -1.872713
H -5.529924 1.119940 1.651101
H -5.080928 -1.172474 -2.010265


%chk=000218944-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218944

0 1
S 1.334865 -2.886924 0.744812
F -6.767602 0.105274 -0.575708
O 3.858558 -0.167200 -1.028173
O -0.628054 1.417292 0.788506
N 1.803868 -0.118954 0.206146
N -0.434904 -0.886991 0.294749
C 3.275280 -0.213379 0.335286
C 3.744319 1.013059 1.157530
C 3.425917 2.336735 0.427212
C 3.808785 -1.536249 0.924358
C 4.032261 2.321865 -0.996594
C 3.543852 1.082355 -1.765058
C 3.173464 -2.775734 0.281425
C 0.964888 -1.072474 0.375101
C -1.148289 0.327208 0.431101
C -2.625670 0.207262 0.143898
C -3.479571 1.182059 0.723660
C -3.182399 -0.789311 -0.701339
C -4.868394 1.154305 0.493610
C -4.571094 -0.829555 -0.949281
C -5.382317 0.141331 -0.336966
H 4.837436 0.916152 1.312048
H 3.253149 0.989806 2.148202
H 3.823981 3.189836 1.007552
H 2.328354 2.453753 0.365197
H 3.650623 -1.549089 2.018514
H 4.897048 -1.552771 0.731987
H 3.740343 3.232986 -1.554453
H 5.138702 2.305116 -0.936800
H 2.451082 1.138675 -1.934656
H 4.062399 0.958751 -2.730684
H 3.247267 -2.734431 -0.816538
H 3.616000 -3.711270 0.656940
H -0.985438 -1.743177 0.192820
H -3.028986 1.960708 1.346687
H -2.541805 -1.516189 -1.213838
H -5.541382 1.892813 0.937994
H -5.016840 -1.581041 -1.606752


