%chk=000261307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261307

0 1
S -3.632246 1.854933 1.336189
N 0.889631 -0.365137 0.349278
N -1.958344 -0.059836 0.647359
C -0.029065 -0.704042 -0.784919
C 0.330684 0.764123 1.166412
C -1.386095 -1.146385 -0.198103
C -1.032728 0.342941 1.746259
C 2.253473 -0.080207 -0.083830
C -3.113613 0.590273 0.374989
C -3.978685 0.155860 -0.773299
C 3.306842 -0.608472 0.699790
C 2.539924 0.666226 -1.238822
C -4.937841 -0.967023 -0.341200
C 4.629998 -0.377680 0.291557
C 3.045209 -1.387205 1.946435
C 3.863012 0.879285 -1.629088
C 4.908576 0.356425 -0.863059
C -5.779687 -1.461839 -1.512594
H 0.422862 -1.546017 -1.354939
H -0.179357 0.134444 -1.499215
H 0.226996 1.707492 0.586574
H 1.037600 0.972439 1.999994
H -2.080960 -1.429506 -1.018027
H -1.248058 -2.051245 0.440541
H -0.914400 -0.526006 2.433662
H -1.459046 1.179637 2.353102
H -4.576473 1.026776 -1.134307
H -3.380999 -0.160990 -1.652467
H 1.731318 1.087160 -1.833663
H -4.370744 -1.808110 0.101873
H -5.600912 -0.589505 0.467256
H 5.451135 -0.778894 0.884396
H 2.967037 -0.719373 2.815970
H 2.094430 -1.942264 1.886084
H 3.835772 -2.117203 2.158743
H 4.078369 1.455588 -2.526818
H 5.941355 0.522253 -1.164786
H -6.475101 -2.247327 -1.192133
H -6.384054 -0.654243 -1.944507
H -5.163814 -1.877545 -2.317085


%chk=000261307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261307

0 1
S -3.803890 1.508084 1.891807
N 0.903287 -0.200116 0.136870
N -1.944746 -0.036960 0.611441
C -0.051300 -0.365808 -0.976555
C 0.354116 0.712096 1.175636
C -1.388817 -0.923178 -0.439678
C -0.982975 0.178607 1.720298
C 2.299217 -0.085583 -0.182773
C -3.205240 0.518597 0.611145
C -4.135870 0.193621 -0.554572
C 3.287071 -0.441208 0.794382
C 2.720610 0.326864 -1.478278
C -4.849316 -1.178672 -0.381357
C 4.653963 -0.331631 0.441008
C 2.905512 -0.988884 2.158467
C 4.089245 0.411459 -1.809073
C 5.067067 0.093064 -0.841908
C -5.854519 -1.451993 -1.519769
H 0.365837 -1.081351 -1.707072
H -0.255249 0.595839 -1.508013
H 0.194698 1.732326 0.754591
H 1.070926 0.804503 2.005476
H -2.102171 -1.038258 -1.267005
H -1.203379 -1.922197 0.003741
H -0.816864 -0.787251 2.237921
H -1.439013 0.893404 2.426015
H -4.900802 0.986124 -0.579481
H -3.610291 0.222144 -1.530611
H 1.973905 0.602227 -2.230392
H -4.102074 -1.995800 -0.335194
H -5.371608 -1.172455 0.593845
H 5.409278 -0.613534 1.185400
H 2.778599 -0.190399 2.916559
H 1.953130 -1.546156 2.100775
H 3.689847 -1.667303 2.536714
H 4.387033 0.735136 -2.812880
H 6.133090 0.158055 -1.084834
H -6.364493 -2.421916 -1.376140
H -6.630249 -0.664953 -1.557689
H -5.351564 -1.476744 -2.505214


