%chk=000210290.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210290

0 1
S 6.748860 -0.827002 -0.792040
S 7.330755 0.527664 0.641510
O 6.275850 0.035174 1.851443
O 8.633336 0.200895 1.116133
O 6.929925 1.837376 0.259335
N 2.733246 -0.181711 -0.797105
C -4.799579 -0.337711 -0.163897
C -4.973452 1.033781 0.521012
C -5.956123 -1.303445 0.166040
C -3.460531 -0.988533 0.253555
C -6.028215 1.905732 -0.172545
C -7.338099 -0.764530 -0.228624
C -7.452567 1.741929 0.377156
C -7.857379 0.306164 0.740638
C -2.252316 -0.278919 -0.371395
C -0.930916 -0.912748 0.083754
C 0.273133 -0.204075 -0.548697
C 1.593241 -0.841130 -0.085909
C 4.056944 -0.662928 -0.291137
C 5.113295 -0.199290 -1.292104
H -4.784336 -0.180671 -1.270620
H -4.002709 1.569022 0.514880
H -5.230000 0.896313 1.587328
H -5.945902 -1.544702 1.246194
H -5.783873 -2.264456 -0.357235
H -3.372235 -0.990131 1.356174
H -3.455420 -2.053939 -0.047193
H -5.736505 2.970759 -0.083007
H -6.028467 1.691831 -1.259849
H -7.311574 -0.364705 -1.259862
H -8.055350 -1.608335 -0.253746
H -7.572243 2.377734 1.276714
H -8.164595 2.144350 -0.370412
H -8.962724 0.251661 0.787715
H -7.506452 0.075225 1.765882
H -2.269138 0.796528 -0.102549
H -2.326656 -0.312992 -1.475686
H -0.857073 -0.874684 1.187785
H -0.919367 -1.987458 -0.183486
H 0.207296 -0.252364 -1.655144
H 0.255304 0.873082 -0.294947
H 1.606526 -1.921284 -0.354923
H 1.679087 -0.784619 1.020834
H 2.672388 0.836804 -0.679578
H 4.039760 -1.775770 -0.235509
H 4.292902 -0.302075 0.738502
H 4.906384 -0.609860 -2.305714
H 5.129708 0.904642 -1.407162
H 6.644557 -0.079501 2.743190


%chk=000210290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210290

0 1
S 6.822243 -1.072482 -0.928363
S 7.654013 0.771504 0.521287
O 7.608550 -0.169699 2.128993
O 9.181465 1.255795 0.295242
O 6.478451 1.894434 0.561832
N 2.772610 -0.348534 -0.534387
C -4.903320 -0.258725 -0.216428
C -5.103510 1.124568 0.466868
C -6.072464 -1.250804 0.024613
C -3.567075 -0.923473 0.224226
C -6.209520 1.997314 -0.182932
C -7.502402 -0.753383 -0.306757
C -7.649348 1.781850 0.357672
C -8.038134 0.314050 0.682607
C -2.290676 -0.261890 -0.344392
C -0.994084 -0.971909 0.107260
C 0.282731 -0.313436 -0.460993
C 1.572818 -1.018010 0.001116
C 4.081018 -0.941665 -0.234283
C 5.133999 -0.306551 -1.160635
H -4.841573 -0.071688 -1.312704
H -4.145790 1.678509 0.411972
H -5.312794 0.977954 1.547317
H -6.055807 -1.566598 1.090488
H -5.865750 -2.165625 -0.569362
H -3.516372 -0.928337 1.334235
H -3.576786 -1.989088 -0.088124
H -5.957112 3.069328 -0.057642
H -6.192913 1.811846 -1.276235
H -7.542535 -0.367725 -1.346506
H -8.177938 -1.631951 -0.279181
H -7.788840 2.386885 1.276452
H -8.360685 2.190240 -0.388601
H -9.143839 0.255245 0.732215
H -7.676142 0.049860 1.697142
H -2.242439 0.802317 -0.036622
H -2.342719 -0.264013 -1.453275
H -0.947631 -0.975073 1.216324
H -1.032187 -2.036142 -0.206155
H 0.250609 -0.314525 -1.567847
H 0.312825 0.751118 -0.144498
H 1.577644 -2.066531 -0.358383
H 1.587913 -1.065483 1.118183
H 2.750223 0.675035 -0.437649
H 4.018201 -2.030403 -0.423577
H 4.405190 -0.814193 0.824993
H 4.865441 -0.411049 -2.228225
H 5.240357 0.776254 -0.936819
H 8.242785 0.291979 2.755237


