%chk=000218779.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218779

0 1
S 8.848160 0.832497 -0.865487
S 9.479633 0.401792 1.044595
O -2.377418 -0.740410 -0.359555
O -7.015661 -1.888224 -0.552166
O 9.699850 -1.246395 0.846184
O 10.779346 0.946221 1.251856
O 8.399996 0.563163 1.958278
N 4.934220 -0.246887 -0.552492
N -3.965901 0.886454 0.197287
C 1.174645 0.387309 -0.128202
C 2.471540 -0.380210 -0.411550
C -0.052579 -0.499060 -0.366461
C 3.701136 0.510495 -0.170550
C -1.337358 0.272153 -0.085042
C 6.178874 0.528003 -0.249862
C 7.312393 -0.134427 -1.030448
C -3.672523 -0.365019 -0.198870
C -6.350305 0.264284 0.088625
C -5.311656 1.209159 0.343768
C -5.953641 -1.058424 -0.333201
C -4.625408 -1.393535 -0.482823
C -7.707324 0.656328 0.256889
C -5.657995 2.532111 0.763879
C -8.016236 1.933790 0.661654
C -6.979386 2.875557 0.915927
C -6.737607 -3.248033 -0.981728
H 1.120800 1.287307 -0.772903
H 1.175064 0.759765 0.915457
H 2.479825 -0.745658 -1.459345
H 2.522580 -1.286797 0.221718
H -0.065378 -0.879081 -1.408553
H -0.013317 -1.404864 0.272323
H 3.717477 0.867124 0.882310
H 3.645111 1.415882 -0.815972
H -1.442807 0.596142 0.963772
H -1.502863 1.125976 -0.763059
H 4.959962 -1.141255 -0.048297
H 6.413286 0.570880 0.841739
H 6.043652 1.581938 -0.584468
H 7.075983 -0.164601 -2.118541
H 7.477076 -1.186986 -0.724482
H -4.268339 -2.365985 -0.795385
H -8.486828 -0.081646 0.056484
H -4.851110 3.239886 0.954009
H -9.050694 2.242318 0.792899
H -7.254748 3.881397 1.235766
H -7.749803 -3.662690 -1.074355
H -6.161861 -3.774988 -0.214965
H -6.222446 -3.240224 -1.946952
H 10.549885 -1.620234 1.133691


%chk=000218779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218779

0 1
S 8.841679 0.767049 -1.174734
S 9.993128 0.020492 0.894692
O -2.521665 -0.871267 -0.317854
O -7.251126 -1.869474 -0.646438
O 11.399474 -0.878413 0.073105
O 10.642886 1.182301 1.814999
O 9.019848 -1.071583 1.603340
N 4.916659 -0.102578 -0.224794
N -4.077963 0.830875 0.192343
C 1.079555 0.355818 -0.047053
C 2.438336 -0.359276 -0.216155
C -0.120258 -0.600011 -0.240752
C 3.632114 0.608466 -0.096722
C -1.453271 0.122727 -0.038851
C 6.145162 0.693162 -0.305550
C 7.280817 -0.202995 -0.839879
C -3.833916 -0.426962 -0.187615
C -6.509877 0.312090 0.024252
C -5.414122 1.211904 0.303435
C -6.168749 -1.034967 -0.384516
C -4.830758 -1.413571 -0.491548
C -7.855348 0.766249 0.156422
C -5.712185 2.548510 0.710483
C -8.118333 2.081871 0.557095
C -7.039682 2.975392 0.835181
C -6.964713 -3.246612 -1.066936
H 1.008344 1.187421 -0.778584
H 1.028004 0.819552 0.959828
H 2.484343 -0.861057 -1.201883
H 2.529427 -1.156204 0.551799
H -0.094517 -1.033874 -1.258931
H -0.051746 -1.444855 0.471612
H 3.558781 1.170370 0.867233
H 3.580167 1.363991 -0.905759
H -1.574823 0.501685 0.993065
H -1.573576 0.979056 -0.729138
H 4.994492 -0.932779 0.375996
H 6.462441 1.144355 0.663600
H 5.966656 1.531096 -1.006492
H 6.995455 -0.707175 -1.781153
H 7.543236 -0.985776 -0.096577
H -4.505496 -2.410177 -0.793390
H -8.669219 0.068231 -0.060337
H -4.870255 3.216047 0.918213
H -9.152287 2.428753 0.658380
H -7.254528 4.003267 1.148575
H -7.949838 -3.711728 -1.213869
H -6.402482 -3.790490 -0.284434
H -6.394836 -3.260053 -2.015280
H 12.153865 -0.906553 0.734970


