%chk=000260867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260867

0 1
S -1.783058 1.148637 0.679107
O 3.497114 -1.336667 1.157419
O -0.295360 -4.076855 -1.521064
N 0.662544 -0.122534 0.797624
N -0.972444 -1.300091 -0.297138
N 2.811449 -3.075166 -0.136943
N 1.739337 -3.904133 -0.553660
C -5.845982 1.066916 -0.034385
C -4.418730 1.512849 0.371563
C 1.223205 -1.325941 0.371079
C -3.379656 0.426588 0.152843
C 1.386519 0.956042 1.502033
C -0.668100 -0.143759 0.363181
C 0.194213 -2.037580 -0.294165
C -5.933533 0.740336 -1.528584
C -6.333576 -0.112811 0.812972
C 2.034168 1.903496 0.520378
C 2.570245 -1.855267 0.558577
C 0.441772 -3.361310 -0.883454
C 1.343201 3.033923 0.063598
C 3.339601 1.649462 0.075119
C 1.960850 3.908839 -0.834941
C 3.951127 2.528035 -0.822307
C 3.263468 3.657972 -1.277868
H -6.521547 1.939080 0.168087
H -4.438648 1.824670 1.436588
H -4.158432 2.422813 -0.208670
H -3.593121 -0.487487 0.740664
H -3.316544 0.110001 -0.908532
H 2.167442 0.485627 2.159316
H 0.680504 1.492085 2.181214
H -6.968297 0.541843 -1.829781
H -5.348940 -0.149936 -1.789158
H -5.563817 1.566047 -2.145624
H -5.763813 -1.026961 0.609432
H -7.385344 -0.339868 0.604869
H -6.247861 0.095813 1.884437
H 3.618846 -3.628866 0.197888
H 2.068896 -4.653723 -1.187961
H 0.326189 3.233364 0.399672
H 3.876324 0.762684 0.428862
H 1.423787 4.786346 -1.191804
H 4.965044 2.330323 -1.167751
H 3.741756 4.341066 -1.978032


%chk=000260867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260867

0 1
S -1.697993 1.220068 0.875475
O 3.608768 -1.388778 1.093188
O -0.594610 -4.149721 -1.287879
N 0.745647 -0.165499 0.836640
N -1.000984 -1.306483 -0.113695
N 2.681143 -3.224242 0.005275
N 1.604899 -3.922450 -0.590460
C -5.837142 1.026431 -0.100951
C -4.449064 1.504905 0.426849
C 1.245777 -1.398947 0.407804
C -3.337615 0.457807 0.259991
C 1.510781 0.938426 1.488680
C -0.612424 -0.161433 0.495722
C 0.153419 -2.081853 -0.170135
C -5.833702 0.785641 -1.630482
C -6.359840 -0.217181 0.658941
C 2.091960 1.945199 0.498933
C 2.590857 -1.939302 0.551396
C 0.285070 -3.433021 -0.731861
C 1.386019 3.129318 0.169104
C 3.359566 1.704690 -0.091540
C 1.931629 4.055344 -0.748346
C 3.903290 2.630927 -1.008906
C 3.190689 3.806884 -1.341622
H -6.537853 1.863267 0.103625
H -4.548799 1.770568 1.498248
H -4.167308 2.430272 -0.114185
H -3.502062 -0.451799 0.856233
H -3.163002 0.170136 -0.786867
H 2.318483 0.456458 2.062671
H 0.813825 1.430439 2.190692
H -6.857336 0.579948 -1.993903
H -5.206355 -0.082766 -1.904530
H -5.451140 1.668693 -2.176211
H -5.745397 -1.110965 0.443388
H -7.397512 -0.450142 0.356985
H -6.353577 -0.054019 1.753209
H 3.576103 -3.714272 0.072233
H 1.810763 -4.851181 -0.965503
H 0.408974 3.326616 0.625629
H 3.909712 0.795529 0.178558
H 1.378200 4.967730 -0.997065
H 4.883950 2.439097 -1.458725
H 3.614986 4.525560 -2.051902


