%chk=000239737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239737

0 1
S 2.688089 1.258273 0.876550
O 3.729867 2.238807 0.748923
O 1.782657 1.349149 1.989992
O 1.229978 -0.278515 -2.317681
N 1.766034 1.213967 -0.610745
C -0.441726 2.335039 -0.227879
C -1.457817 1.310117 -0.745767
C 0.864536 2.313712 -1.034715
C -2.715342 1.275784 0.132417
C -3.740875 0.265780 -0.399730
C -4.996221 0.223789 0.482013
C 3.281848 -0.360375 0.649280
C 1.819761 -0.017674 -1.295352
C 2.755695 -0.929051 -0.532244
C -6.022643 -0.784394 -0.051461
C -7.278616 -0.828553 0.830291
C 4.149158 -1.075388 1.449184
C 3.094099 -2.214408 -0.917842
C 4.499438 -2.388262 1.064020
C 3.980269 -2.947181 -0.099774
C -8.304225 -1.830039 0.303527
H -0.876570 3.352940 -0.272631
H -0.235462 2.152180 0.850156
H -0.993210 0.304520 -0.782261
H -1.731998 1.544695 -1.792844
H 0.648678 2.199869 -2.125016
H 1.415181 3.275179 -0.916181
H -2.439087 1.018861 1.173999
H -3.170224 2.283623 0.181928
H -4.019347 0.523911 -1.439704
H -3.284104 -0.741470 -0.452702
H -4.717025 -0.037115 1.521133
H -5.451511 1.231359 0.536698
H -6.302887 -0.524306 -1.090249
H -5.568285 -1.792200 -0.107327
H -6.999500 -1.091239 1.869451
H -7.734871 0.179169 0.885672
H 4.565408 -0.649779 2.364782
H 2.684263 -2.648654 -1.832700
H 5.183739 -2.962997 1.689676
H 4.256505 -3.962853 -0.390290
H -8.630732 -1.576770 -0.711496
H -7.895879 -2.846496 0.271617
H -9.196447 -1.854401 0.938884


%chk=000239737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239737

0 1
S 2.471345 1.068563 1.135735
O 3.486846 2.324631 1.282707
O 1.364633 0.834381 2.298181
O 1.641021 -0.100706 -2.591009
N 1.670563 1.113423 -0.580353
C -0.476491 2.411189 -0.292554
C -1.407884 1.215897 -0.584855
C 0.902920 2.304464 -0.980313
C -2.807508 1.384817 0.046560
C -3.746184 0.188497 -0.228605
C -5.152317 0.361767 0.388467
C 3.316534 -0.542884 0.640477
C 2.030901 0.044537 -1.397348
C 2.951774 -0.894715 -0.669260
C -6.093692 -0.832851 0.114525
C -7.501911 -0.654883 0.726985
C 4.166590 -1.295276 1.454774
C 3.475371 -2.083404 -1.217327
C 4.686818 -2.488356 0.889773
C 4.343342 -2.874669 -0.429681
C -8.437708 -1.850707 0.446560
H -0.946486 3.348168 -0.654347
H -0.343974 2.523468 0.801190
H -0.944383 0.285994 -0.199513
H -1.509560 1.085522 -1.682128
H 0.785399 2.217070 -2.077705
H 1.516860 3.202678 -0.771944
H -2.700538 1.521829 1.142793
H -3.276805 2.313991 -0.340305
H -3.842870 0.042180 -1.324957
H -3.283069 -0.738739 0.168739
H -5.055416 0.507792 1.484842
H -5.614481 1.290136 -0.008461
H -6.188806 -0.982271 -0.981675
H -5.635670 -1.761496 0.515246
H -7.405877 -0.507361 1.822237
H -7.956809 0.274636 0.327459
H 4.423063 -0.987921 2.472654
H 3.197490 -2.361416 -2.238987
H 5.360799 -3.113878 1.483722
H 4.756915 -3.799441 -0.844386
H -8.576765 -1.998173 -0.641304
H -8.017318 -2.787325 0.859499
H -9.436063 -1.700558 0.897492


