%chk=000249754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249754

0 1
S -0.771297 -2.578967 0.179031
O -0.825844 -3.605454 1.198444
O -1.135080 -2.858773 -1.190683
O -4.561031 3.997035 0.177626
O 4.619834 1.141038 -1.653911
O -4.197089 3.056879 2.169552
N -1.864062 -1.386134 0.800851
N 4.511366 0.112799 0.410745
C 0.750161 -1.793796 0.222295
C -2.390439 -0.279055 0.093269
C 1.201672 -1.050544 -0.877466
C 1.560519 -1.904844 1.361061
C 3.242281 -0.515770 0.304560
C 2.435815 -0.410292 -0.846008
C 2.798055 -1.274522 1.415682
C -2.980003 0.770784 0.829889
C -2.329159 -0.195353 -1.314684
C -3.475224 1.890146 0.152375
C -2.825198 0.933188 -1.963804
C -3.397656 1.986172 -1.241431
C 5.141358 0.918257 -0.585310
C -4.081943 2.972321 0.967332
C 6.483406 1.440161 -0.165824
H -2.228653 -1.510391 1.755615
H 0.582122 -0.974596 -1.779827
H 1.220875 -2.502195 2.217054
H 2.777254 0.170251 -1.712138
H 3.413223 -1.371586 2.306851
H -3.052109 0.724127 1.918048
H -1.933930 -1.027907 -1.910066
H -2.774821 0.991504 -3.052442
H -3.786900 2.868742 -1.751536
H 5.009677 -0.035161 1.293319
H 6.430106 2.088891 0.719757
H 6.917052 2.051606 -0.978095
H 7.206108 0.638878 0.042689
H -4.972346 4.724458 0.718177


%chk=000249754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249754

0 1
S -0.917259 -2.932897 0.068659
O -0.826334 -4.107553 1.185963
O -1.203176 -3.204164 -1.504075
O -2.948572 4.230095 -0.050519
O 4.241994 1.625874 -1.439994
O -2.241095 3.218458 1.915872
N -2.411830 -1.849879 0.683132
N 4.147745 0.409367 0.566825
C 0.646559 -1.890373 0.194432
C -2.626320 -0.620514 0.004596
C 0.989234 -1.048634 -0.876841
C 1.418669 -1.998735 1.364997
C 2.958870 -0.345252 0.395096
C 2.156016 -0.264082 -0.778235
C 2.584918 -1.219589 1.456504
C -2.468383 0.628294 0.658448
C -3.059075 -0.653347 -1.354071
C -2.777044 1.830147 -0.023020
C -3.325413 0.552098 -2.034270
C -3.198294 1.796610 -1.377194
C 4.734224 1.331967 -0.313699
C -2.621257 3.107175 0.724530
C 6.030400 1.957552 0.192335
H -2.256725 -1.766647 1.703829
H 0.370691 -1.020383 -1.779408
H 1.129543 -2.693495 2.159979
H 2.457417 0.403007 -1.587145
H 3.211061 -1.293069 2.354108
H -2.122147 0.686683 1.697604
H -3.187006 -1.622904 -1.843629
H -3.654966 0.519042 -3.077829
H -3.422895 2.734474 -1.891601
H 4.640229 0.258196 1.449948
H 6.309121 1.655849 1.216840
H 5.932287 3.055921 0.159748
H 6.851434 1.685014 -0.493160
H -2.824521 5.047590 0.502240


