%chk=000190444.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190444

0 1
S 3.600333 1.275781 -1.283260
O -2.890769 -2.469797 -1.317198
O -3.349844 2.020785 1.280825
N -2.860390 -1.477647 0.738213
N 1.298977 -0.453931 -0.297856
N -4.120447 0.765058 -0.462743
C -0.383355 -1.599167 1.203784
C -1.736759 -2.318918 1.228458
C 0.125751 -1.366171 -0.230913
C -3.339649 -0.372788 1.594284
C -3.298238 -1.587808 -0.582292
C -4.357395 -0.577130 -1.028788
C 2.600272 -0.994460 -0.084086
C 1.066012 0.954626 -0.261324
C -3.582958 0.920367 0.808974
C 3.746771 -0.267437 -0.471633
C 2.072390 1.857763 -0.661563
C 2.782238 -2.272593 0.485694
C -0.176143 1.482053 0.148022
C -4.314219 1.928967 -1.353637
C 5.028186 -0.778082 -0.284310
C 1.864049 3.235029 -0.634085
C 4.069296 -2.790174 0.647726
C -0.388107 2.861866 0.157826
C 5.193695 -2.051493 0.271803
C 0.625315 3.743098 -0.228470
H -0.442681 -0.633474 1.747758
H 0.358995 -2.197792 1.772506
H -1.973088 -2.653646 2.263276
H -1.699098 -3.238848 0.590643
H -0.682148 -0.942115 -0.873397
H 0.397703 -2.335059 -0.711505
H -2.607964 -0.154022 2.409286
H -4.289160 -0.672739 2.101740
H -4.356920 -0.541429 -2.145773
H -5.367796 -0.949323 -0.730053
H 1.930934 -2.868144 0.806538
H -0.983210 0.830385 0.471967
H -4.144515 2.866861 -0.785119
H -5.344028 1.949943 -1.745631
H -3.603023 1.912024 -2.197065
H 5.903600 -0.193914 -0.575045
H 2.661227 3.918919 -0.931568
H 4.193867 -3.783269 1.079905
H -1.360463 3.243068 0.486487
H 6.191446 -2.460116 0.409367
H 0.455910 4.816591 -0.209973


%chk=000190444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190444

0 1
S 3.835106 1.348228 -1.226113
O -3.033796 -2.697686 -1.216445
O -3.587160 2.157894 1.089938
N -2.787666 -1.357073 0.688826
N 1.396986 -0.379315 -0.251931
N -4.283155 0.662525 -0.573928
C -0.325765 -1.521723 1.260116
C -1.712942 -2.205171 1.259568
C 0.195090 -1.241136 -0.177850
C -3.332088 -0.246961 1.498775
C -3.369618 -1.690928 -0.521779
C -4.487308 -0.742063 -0.983156
C 2.679512 -0.990695 -0.103647
C 1.206518 1.038760 -0.202414
C -3.740950 0.973968 0.657301
C 3.883889 -0.297069 -0.422802
C 2.251723 1.951074 -0.527387
C 2.811574 -2.333477 0.354516
C -0.048530 1.602623 0.165216
C -4.744186 1.728612 -1.479639
C 5.146516 -0.894669 -0.242628
C 2.065604 3.344199 -0.433562
C 4.075546 -2.947196 0.491605
C -0.250212 2.998479 0.222392
C 5.255349 -2.229817 0.208102
C 0.810825 3.881440 -0.063898
H -0.359289 -0.579155 1.837708
H 0.375348 -2.180645 1.804845
H -1.993443 -2.483634 2.293904
H -1.691103 -3.126651 0.650325
H -0.602226 -0.759431 -0.769412
H 0.417714 -2.194420 -0.688845
H -2.567715 0.100724 2.210843
H -4.208560 -0.581569 2.095068
H -4.511258 -0.798104 -2.083452
H -5.462013 -1.130354 -0.615579
H 1.925381 -2.919693 0.605527
H -0.892473 0.957498 0.410123
H -4.547787 2.696097 -0.992103
H -5.828638 1.634875 -1.676022
H -4.199438 1.684560 -2.440523
H 6.045841 -0.316323 -0.481267
H 2.903118 4.008613 -0.673295
H 4.128613 -3.986716 0.833091
H -1.239566 3.370997 0.509111
H 6.239654 -2.693378 0.326208
H 0.671572 4.965584 -0.007632


