%chk=000218772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218772

0 1
S -7.996201 -0.321122 1.221978
S -8.689806 -0.130683 -0.704959
O 1.951954 -1.082426 -0.009415
O -7.659371 -1.247433 -1.419450
O -9.993678 -0.694001 -0.808283
O -8.330674 1.144074 -1.222523
N -4.017061 0.244305 0.599031
N 3.576738 0.605075 0.000768
C -1.567047 0.108016 0.332349
C -0.361817 -0.824305 0.183978
C -2.877637 -0.695433 0.359537
C 0.936415 -0.024262 0.156980
C -5.335737 -0.463063 0.572329
C 5.935820 -0.077394 -0.235852
C 5.524599 -1.459949 -0.314828
C 3.253264 -0.693702 -0.078198
C -6.373167 0.502168 1.142076
C 4.930261 0.922173 -0.078110
C 4.187727 -1.770413 -0.236617
C 7.297098 0.341656 -0.307265
C 6.541635 -2.538696 -0.479508
C 5.297718 2.304173 0.004450
C 7.631658 1.672326 -0.226362
C 6.620000 2.662305 -0.068829
H -1.481457 0.704191 1.265219
H -1.584563 0.844790 -0.494427
H -0.328025 -1.559116 1.014584
H -0.442923 -1.432126 -0.740342
H -2.855233 -1.426233 1.199341
H -2.986922 -1.285207 -0.576393
H 1.016345 0.667122 -0.698415
H 1.149098 0.511421 1.097272
H -4.011507 0.984457 -0.113247
H -5.268575 -1.376514 1.207314
H -5.627797 -0.811752 -0.447223
H -6.434990 1.446453 0.561602
H -6.110225 0.798916 2.182127
H 3.808467 -2.786717 -0.288458
H 8.075163 -0.411663 -0.427665
H 7.120356 -2.405856 -1.406229
H 7.255740 -2.547348 0.358002
H 6.093363 -3.541422 -0.525454
H 4.503757 3.041752 0.125122
H 8.670718 1.989995 -0.281024
H 6.916626 3.709553 -0.007580
H -8.054103 -1.885784 -2.036806


%chk=000218772-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218772

0 1
S -7.974798 -0.165844 1.516451
S -8.997626 0.316187 -0.691184
O 2.107840 -1.289942 -0.028016
O -9.014865 -1.441891 -1.308121
O -10.528090 0.839013 -0.684187
O -7.893955 1.140421 -1.553543
N -3.996206 -0.015579 0.407977
N 3.632166 0.514820 -0.019243
C -1.514046 -0.136883 0.244016
C -0.288519 -1.074319 0.155363
C -2.835699 -0.922772 0.348687
C 1.020591 -0.285467 0.091698
C -5.317071 -0.609776 0.649582
C 6.066194 0.010351 -0.189222
C 5.767379 -1.409311 -0.254944
C 3.408517 -0.800972 -0.080023
C -6.295956 0.509545 1.048434
C 4.958316 0.936339 -0.072124
C 4.432289 -1.801337 -0.198617
C 7.396515 0.533257 -0.234729
C 6.874252 -2.435135 -0.381909
C 5.221096 2.339296 -0.006336
C 7.630176 1.911855 -0.167953
C 6.534269 2.820006 -0.053174
H -1.428101 0.531183 1.122791
H -1.544178 0.517119 -0.653022
H -0.261601 -1.747603 1.033812
H -0.364820 -1.718118 -0.742087
H -2.833667 -1.532868 1.273657
H -2.907095 -1.640999 -0.505208
H 1.060414 0.392433 -0.781931
H 1.190197 0.322778 0.999791
H -3.994522 0.702448 -0.328073
H -5.220704 -1.336599 1.478594
H -5.734588 -1.165051 -0.222389
H -6.454153 1.209052 0.200829
H -5.925711 1.095157 1.910491
H 4.136784 -2.852964 -0.242458
H 8.243565 -0.155591 -0.322620
H 7.470886 -2.270974 -1.298917
H 7.572998 -2.381447 0.474128
H 6.463767 -3.457319 -0.421749
H 4.363496 3.013460 0.081722
H 8.654698 2.297912 -0.203680
H 6.725276 3.897691 -0.001501
H -9.699708 -1.489261 -2.040464


