%chk=000284321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284321

0 1
S -0.202233 1.288931 0.775960
C 0.802254 0.519797 -0.541826
C 2.225681 0.921985 -0.239676
C 0.824861 -0.981659 -0.406973
C 3.006111 -0.238446 0.065069
C 2.136559 -1.419778 -0.037731
C 2.798158 2.181946 -0.230161
C -0.194066 -1.897439 -0.604791
C -1.849456 0.892457 0.336693
C 4.351385 -0.120507 0.377827
C 2.405445 -2.767228 0.146336
C -2.482482 1.561709 -0.724203
C -2.543972 -0.048458 1.118297
C 4.165661 2.292746 0.088428
C 0.087220 -3.264214 -0.416863
C 4.927048 1.163780 0.386990
C 1.361576 -3.691134 -0.045906
C -3.824364 1.273261 -1.010279
C -3.888054 -0.319191 0.821444
C -4.528966 0.338418 -0.237841
C -1.751254 2.564613 -1.553619
C -1.881096 -0.755954 2.251004
C -5.956753 0.030584 -0.554196
H 0.454375 0.855510 -1.543278
H 2.211916 3.070766 -0.453377
H -1.194361 -1.575842 -0.891628
H 4.951927 -0.995569 0.612109
H 3.397796 -3.107608 0.430439
H 4.628678 3.278214 0.102428
H -0.707001 -3.994076 -0.566188
H 5.982468 1.271390 0.632243
H 1.558011 -4.752549 0.095472
H -4.322932 1.780392 -1.831638
H -4.436420 -1.042362 1.419120
H -2.405029 3.086590 -2.264065
H -1.278338 3.337085 -0.924648
H -0.946975 2.093286 -2.139187
H -2.523308 -1.510219 2.721140
H -1.575071 -0.050913 3.040159
H -0.959943 -1.269739 1.924874
H -6.532854 -0.241342 0.340659
H -6.474287 0.877918 -1.023574
H -6.023816 -0.817254 -1.252541


%chk=000284321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284321

0 1
S -0.203278 1.392118 0.920143
C 0.873858 0.549120 -0.463874
C 2.323682 0.925774 -0.204444
C 0.887520 -0.967390 -0.394635
C 3.093032 -0.251892 0.041934
C 2.204347 -1.425183 -0.077506
C 2.920095 2.197593 -0.166720
C -0.154692 -1.885075 -0.617303
C -1.924728 0.940081 0.410001
C 4.473677 -0.155942 0.317387
C 2.474106 -2.805042 0.040249
C -2.530018 1.546058 -0.730394
C -2.656073 0.027928 1.230167
C 4.307672 2.291910 0.109260
C 0.118625 -3.271244 -0.498724
C 5.075083 1.124808 0.349185
C 1.419852 -3.725851 -0.168944
C -3.869629 1.205627 -1.045482
C -3.993497 -0.273792 0.874796
C -4.616188 0.294069 -0.263299
C -1.795981 2.543729 -1.608275
C -2.047164 -0.612275 2.465071
C -6.041418 -0.073354 -0.637640
H 0.474321 0.941606 -1.413492
H 2.324775 3.100682 -0.338942
H -1.161838 -1.538709 -0.871199
H 5.075154 -1.052837 0.503244
H 3.481295 -3.164315 0.279882
H 4.791325 3.274471 0.141290
H -0.683346 -3.998694 -0.666883
H 6.145968 1.217194 0.562740
H 1.611649 -4.801373 -0.082826
H -4.339470 1.674985 -1.919488
H -4.560489 -0.970097 1.505643
H -2.506730 3.219311 -2.114747
H -1.087121 3.148414 -1.015942
H -1.212206 2.035026 -2.401277
H -2.752427 -1.328012 2.921702
H -1.782869 0.144670 3.225762
H -1.111826 -1.145091 2.217971
H -6.647115 -0.308339 0.255282
H -6.540800 0.745625 -1.184615
H -6.063035 -0.966397 -1.292558


