%chk=000296591.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296591

0 1
S 2.479342 -2.207215 -0.669908
S 5.011778 -3.169258 0.244762
O -1.142348 0.891834 1.666318
O 3.192508 0.952365 0.613752
O 1.747876 1.205754 -1.111003
N -2.364763 0.278697 -0.201542
N -0.129406 -0.513453 0.131602
C -3.643402 0.814069 0.358218
C -4.415045 -0.267993 1.141840
C -4.483624 1.391185 -0.798063
C -5.024538 -1.340660 0.233044
C -5.108650 0.309893 -1.687902
C -5.897777 -0.714538 -0.862264
C -1.222460 0.278008 0.610120
C 1.180294 -0.292236 0.780420
C 1.909967 -1.621271 0.947700
C 2.015884 0.689742 -0.056263
C 4.236790 -1.811501 -0.667842
C 4.059390 1.965714 0.035685
C 6.693530 -2.564780 0.506355
H -3.369821 1.645422 1.068168
H -3.746582 -0.735863 1.890848
H -5.216567 0.225499 1.725993
H -5.283303 2.022875 -0.363030
H -3.860314 2.071568 -1.411639
H -4.223379 -1.951446 -0.224202
H -5.627816 -2.043157 0.839560
H -5.774703 0.784285 -2.434186
H -4.321915 -0.202519 -2.273248
H -6.298438 -1.504800 -1.524126
H -6.778782 -0.225515 -0.403226
H -2.465945 -0.403121 -0.949744
H -0.071778 -0.728825 -0.868698
H 1.009473 0.180357 1.801180
H 1.227697 -2.392962 1.367483
H 2.748823 -1.524386 1.666962
H 4.582854 -1.776791 -1.718852
H 4.447066 -0.825282 -0.211436
H 4.992119 1.835336 0.592909
H 3.613247 2.949293 0.216669
H 4.186182 1.792056 -1.038126
H 7.245751 -3.347370 1.045535
H 6.714651 -1.655759 1.115291
H 7.214032 -2.375050 -0.437514


%chk=000296591-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296591

0 1
S 1.961417 -2.746687 -0.593170
S 4.961745 -3.197068 0.314971
O -1.094506 0.599803 1.930585
O 3.427445 0.892200 0.728981
O 2.181258 0.994933 -1.234882
N -2.271755 0.295163 -0.069737
N 0.014622 -0.243235 0.047672
C -3.560713 0.767636 0.483573
C -4.354174 -0.379203 1.169315
C -4.404195 1.423982 -0.638268
C -4.886672 -1.414092 0.150667
C -4.945197 0.390494 -1.659380
C -5.737654 -0.734669 -0.950702
C -1.124308 0.242821 0.707518
C 1.303463 -0.258910 0.724319
C 1.821899 -1.700720 0.975597
C 2.309959 0.597345 -0.055904
C 3.786348 -2.514172 -1.001572
C 4.428852 1.792130 0.098591
C 6.013061 -1.664407 0.649613
H -3.303790 1.521171 1.249837
H -3.704860 -0.859945 1.923556
H -5.207867 0.072463 1.715603
H -5.265420 1.932720 -0.161751
H -3.806690 2.204907 -1.146628
H -4.031469 -1.944504 -0.317062
H -5.484651 -2.184359 0.674341
H -5.584660 0.903135 -2.403296
H -4.109037 -0.060424 -2.236892
H -6.082646 -1.484163 -1.688976
H -6.646657 -0.297041 -0.487634
H -2.249015 -0.027316 -1.037792
H 0.018093 -0.429160 -0.957211
H 1.142030 0.211862 1.714841
H 1.091768 -2.226145 1.611051
H 2.807879 -1.718816 1.472097
H 3.933934 -3.069769 -1.939319
H 4.019079 -1.449950 -1.158448
H 5.201653 1.934098 0.866636
H 3.953806 2.749966 -0.169703
H 4.847501 1.328938 -0.811090
H 6.693015 -1.939692 1.471329
H 5.370682 -0.828235 0.965877
H 6.604323 -1.394886 -0.239552


