%chk=000295595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295595

0 1
S 1.615501 0.991669 0.693810
O -1.695310 2.303170 -0.271705
O -1.974768 -2.260687 -1.032194
N -1.519077 0.034495 -0.835108
N 0.660969 -0.388007 0.057564
N 1.538696 -1.481985 -0.233821
C -0.082307 0.008269 -1.188284
C -3.527309 0.713399 0.148140
C -3.611084 -0.687162 -0.085188
C -2.176519 1.202229 -0.292537
C -2.317616 -1.162161 -0.687457
C 2.924768 -1.130846 -0.011717
C 3.154814 0.195957 0.424593
C 4.428315 0.693876 0.603316
C 3.999783 -1.977276 -0.270104
C -4.581563 1.410995 0.697351
C -4.749887 -1.396815 0.229486
C 5.522741 -0.163512 0.343724
C 5.298687 -1.478060 -0.085709
C -5.751440 0.684778 1.023971
C -5.833510 -0.684192 0.795818
C 6.911514 0.352450 0.533097
H 0.203256 1.018437 -1.575679
H 0.067885 -0.747440 -2.005386
H 1.235437 -2.293779 0.339381
H 4.597491 1.715699 0.937156
H 3.841383 -2.996800 -0.614786
H -4.520535 2.485021 0.877294
H -4.817980 -2.470663 0.051283
H 6.145557 -2.133885 -0.285592
H -6.597292 1.216710 1.462254
H -6.743878 -1.226980 1.054894
H 7.679460 -0.402302 0.319013
H 7.111696 1.209415 -0.126877
H 7.074925 0.692084 1.566298


%chk=000295595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295595

0 1
S 1.072961 -0.643537 1.630433
O -0.655440 1.466158 -0.681868
O -2.543886 -2.845739 -0.365971
N -1.257118 -0.840476 -0.520925
N 0.645278 -2.078273 0.366800
N 1.905226 -2.635797 -0.034567
C 0.021690 -1.430945 -0.858219
C -2.929321 0.704202 -0.020682
C -3.496141 -0.589605 0.077111
C -1.494882 0.571638 -0.427853
C -2.446659 -1.601159 -0.268751
C 2.967705 -1.649773 -0.022908
C 2.703991 -0.518416 0.803779
C 3.661744 0.497035 0.949760
C 4.186638 -1.753452 -0.711219
C -3.687872 1.857306 0.232274
C -4.841413 -0.773753 0.431373
C 4.907932 0.399023 0.266289
C 5.154812 -0.730224 -0.553447
C -5.047528 1.681663 0.597246
C -5.615700 0.385449 0.695303
C 5.939929 1.504634 0.410183
H 0.661139 -0.641765 -1.300709
H -0.122789 -2.264002 -1.566098
H 2.097662 -3.485226 0.514871
H 3.458551 1.367681 1.582569
H 4.374936 -2.612260 -1.363441
H -3.238777 2.851907 0.149201
H -5.269561 -1.778661 0.499876
H 6.107912 -0.807819 -1.088539
H -5.670364 2.558024 0.806197
H -6.668580 0.281004 0.978389
H 6.869547 1.261975 -0.132230
H 5.559044 2.463610 0.011005
H 6.202138 1.675673 1.471066


