%chk=000194074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194074

0 1
S 0.824390 -0.911739 -0.856848
O 0.951914 -2.323907 -0.580929
O 1.342917 -0.416940 -2.100573
N 1.928238 -0.255867 0.410687
N 1.946781 1.069294 0.778494
N 3.496056 0.058884 1.967456
N 2.861758 1.230191 1.684656
C -0.673576 -0.264787 -0.436625
C -1.064492 1.015928 -0.909436
C -1.567710 -0.981277 0.401746
C -3.215931 0.800334 0.212155
C -2.328540 1.526550 -0.591862
C -2.824189 -0.454014 0.706819
C -0.158777 1.858876 -1.732283
C -1.203104 -2.300814 0.986847
C -4.564576 1.346580 0.531878
C 2.935099 -0.893610 1.180574
H -2.620875 2.506419 -0.966698
H -3.507027 -1.016668 1.341055
H 0.273888 1.327412 -2.604248
H -0.647220 2.756697 -2.135614
H 0.706513 2.222411 -1.144597
H -2.008446 -2.745220 1.588139
H -0.320112 -2.241685 1.643813
H -0.939562 -3.053103 0.215683
H -4.943046 1.000324 1.504576
H -4.581399 2.446124 0.556039
H -5.300230 1.033208 -0.227065
H 3.176557 -1.947200 1.121362


%chk=000194074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194074

0 1
S 0.921163 -0.997723 -0.913113
O 1.096535 -2.564462 -0.556163
O 1.435401 -0.480153 -2.348294
N 2.115168 -0.185346 0.457138
N 2.134964 1.194233 0.708740
N 3.650719 0.114382 2.033269
N 3.066131 1.369792 1.668182
C -0.770173 -0.261677 -0.423358
C -1.073896 1.036567 -0.920064
C -1.621831 -1.044851 0.403984
C -3.274302 0.802973 0.212192
C -2.356250 1.533656 -0.577444
C -2.883585 -0.467336 0.695688
C -0.148158 1.915641 -1.739630
C -1.303047 -2.407159 0.994468
C -4.646983 1.364450 0.524849
C 3.037027 -0.814712 1.261370
H -2.629364 2.531567 -0.938644
H -3.573318 -1.038353 1.327849
H 0.085151 1.467302 -2.719411
H -0.621240 2.897196 -1.902992
H 0.811637 2.078269 -1.217918
H -2.131213 -2.724539 1.648424
H -0.375556 -2.397890 1.592872
H -1.156022 -3.173428 0.215050
H -5.031252 0.988268 1.488335
H -4.634788 2.467021 0.564474
H -5.374579 1.071691 -0.256710
H 3.226959 -1.882977 1.262059


