%chk=000208449.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208449

0 1
S -3.952460 -0.743976 0.923176
O 4.831098 -1.294994 -0.017080
O -5.190372 -1.405671 1.258446
O -3.316846 0.157517 1.848981
N 2.669358 -1.815841 -0.486647
N 2.370496 0.889814 0.866389
N -2.887387 -2.072613 0.606075
C 0.561614 -0.679403 0.195648
C 1.271868 -1.842762 -0.166702
C 1.223122 0.651859 0.320684
C -0.807052 -0.757578 0.490167
C -1.490884 -1.978602 0.392143
C 0.582373 -3.076383 -0.230798
C 3.657694 -1.138095 0.260110
C -0.775348 -3.148506 0.036286
C 3.187481 -0.214720 1.380434
C 0.459669 1.810864 -0.228715
C 3.131982 -2.678270 -1.606856
C 0.288086 1.923684 -1.616164
C -0.079940 2.774278 0.634206
C -4.084886 0.037286 -0.624079
C -0.429728 3.003323 -2.136826
C -0.801282 3.848258 0.104179
C -0.976636 3.963535 -1.278435
H -1.316912 0.149727 0.839026
H 1.125264 -3.988161 -0.486014
H -1.287668 -4.107645 -0.022512
H 2.684198 -0.795900 2.186664
H 4.095235 0.253281 1.846845
H 2.425294 -2.631125 -2.449169
H 3.256994 -3.725015 -1.285866
H 4.121007 -2.322262 -1.963158
H -3.251782 -3.028324 0.723695
H 0.723086 1.179597 -2.281765
H 0.069328 2.688207 1.711067
H -4.329663 1.109687 -0.541020
H -3.161323 0.009994 -1.225284
H -4.868914 -0.394818 -1.265701
H -0.555925 3.101288 -3.213656
H -1.221625 4.598791 0.772566
H -1.532010 4.805572 -1.687740


%chk=000208449-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208449

0 1
S -3.902821 -1.672248 1.249458
O 4.667610 -1.325521 0.954523
O -4.696264 -3.059871 1.592143
O -2.823746 -1.032698 2.290656
N 2.688564 -1.777213 -0.197160
N 2.129394 0.939527 1.047553
N -2.996634 -1.784379 -0.614497
C 0.505184 -0.539775 -0.113333
C 1.265402 -1.748214 -0.284180
C 1.152552 0.781057 0.175311
C -0.903220 -0.602506 -0.227618
C -1.584568 -1.814078 -0.508754
C 0.580813 -2.956570 -0.609219
C 3.425410 -1.149990 0.840250
C -0.814923 -3.001021 -0.695055
C 2.607246 -0.255763 1.778466
C 0.664653 2.007262 -0.532865
C 3.450781 -2.692070 -1.081962
C 0.054361 1.940679 -1.815102
C 0.860601 3.280792 0.068372
C -5.196041 -0.336363 0.848196
C -0.352792 3.119749 -2.477499
C 0.447937 4.455275 -0.590895
C -0.161837 4.380335 -1.867182
H -1.490126 0.311713 -0.103437
H 1.155294 -3.876597 -0.749627
H -1.319581 -3.953408 -0.898816
H 1.770423 -0.847636 2.209724
H 3.280105 0.067439 2.585400
H 2.976299 -2.722358 -2.075182
H 3.514055 -3.714925 -0.665666
H 4.477008 -2.302407 -1.162214
H -3.374386 -2.707196 -0.919044
H -0.082647 0.971181 -2.305845
H 1.346858 3.320088 1.047736
H -5.742656 -0.158175 1.784765
H -4.632198 0.542503 0.510935
H -5.836933 -0.749668 0.058415
H -0.811669 3.054566 -3.470306
H 0.599866 5.429752 -0.113670
H -0.480770 5.294629 -2.380175


