%chk=000245197.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245197

0 1
S -2.780792 -0.846936 -0.000218
O 2.167795 -1.439176 0.000887
N -0.111545 -1.141279 0.000334
N -0.956103 1.087785 -0.000084
N 0.285474 1.628126 0.000121
C 1.333986 0.835839 0.000352
C -1.222249 -0.292021 0.000210
C 1.245640 -0.658069 0.000045
C -0.347623 -2.609235 0.000694
C -2.076330 2.068140 -0.000581
C 2.702225 1.421870 0.000714
H 0.621261 -3.145048 0.002128
H -0.918391 -2.915022 -0.895551
H -0.920701 -2.914300 0.895722
H -1.687265 3.102544 -0.001102
H -2.708627 1.926444 0.897164
H -2.708667 1.925537 -0.898156
H 3.272296 1.091649 0.885275
H 2.688312 2.523138 0.003060
H 3.271004 1.095513 -0.886114


%chk=000245197-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245197

0 1
S -2.869507 -0.888239 -0.000471
O 2.209308 -1.439188 0.000935
N -0.130248 -1.133684 0.000478
N -0.977769 1.076685 -0.000017
N 0.291629 1.636835 0.000149
C 1.341981 0.819348 0.000464
C -1.262847 -0.297155 0.000172
C 1.217372 -0.654594 0.000621
C -0.338066 -2.599169 0.000551
C -2.076242 2.063362 -0.000499
C 2.718945 1.421465 0.000670
H 0.654330 -3.072104 0.000982
H -0.915192 -2.893564 -0.891513
H -0.915931 -2.893335 0.892205
H -1.604927 3.055729 -0.000603
H -2.710851 1.928117 0.890889
H -2.710429 1.927732 -0.892129
H 3.289353 1.082796 0.884362
H 2.649929 2.519919 0.001684
H 3.288861 1.084544 -0.884029


