%chk=000229612.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229612

0 1
S -0.354286 -1.250669 0.831902
O -0.335296 -2.438663 0.023989
O -0.290316 -1.323013 2.265458
O -3.276010 -2.157883 1.342253
O -1.219512 1.518441 -0.529365
N -1.908300 -0.467611 0.473273
C 2.237126 -0.643697 0.477745
C 3.297776 0.342523 -0.033757
C 4.714953 -0.195365 0.205145
C 0.822674 -0.108177 0.239697
C 5.778437 0.786874 -0.304076
C 7.195810 0.249380 -0.065853
C 8.261802 1.230313 -0.574198
C -3.186018 -1.091371 0.809447
C -2.120559 0.808630 -0.157871
C -4.239198 -0.125287 0.349584
C -3.603539 1.007243 -0.226994
C 9.674437 0.700052 -0.339367
C -5.612787 -0.215418 0.421971
C -4.336367 2.058781 -0.735811
C -6.368709 0.861627 -0.099110
C -5.746621 1.970030 -0.663384
H 2.367846 -1.622762 -0.032088
H 2.399671 -0.830505 1.561383
H 3.177054 1.322463 0.467919
H 3.145309 0.536452 -1.113423
H 0.684798 0.125073 -0.841927
H 0.715980 0.897258 0.709857
H 4.837654 -1.175000 -0.296868
H 4.869273 -0.389304 1.284649
H 5.626560 0.980844 -1.383514
H 5.658533 1.766239 0.198267
H 7.350336 0.054497 1.012905
H 7.318493 -0.729874 -0.567439
H 8.110574 1.424276 -1.654166
H 8.142384 2.209962 -0.071354
H 9.839281 -0.252623 -0.855528
H 10.428414 1.405885 -0.705306
H 9.871298 0.532991 0.725773
H -6.104704 -1.083490 0.864012
H -3.851748 2.929671 -1.179067
H -7.458384 0.812208 -0.052703
H -6.348121 2.790197 -1.059660


%chk=000229612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229612

0 1
S -0.408957 -1.338398 0.842676
O -0.352717 -2.676308 -0.060548
O -0.286991 -1.424548 2.451055
O -3.471115 -2.207313 1.287403
O -1.409655 1.660378 -0.527307
N -2.103109 -0.429638 0.436013
C 2.307094 -0.639805 0.457856
C 3.389841 0.331869 -0.086822
C 4.820562 -0.178685 0.201710
C 0.920293 -0.070838 0.171630
C 5.914155 0.767531 -0.343136
C 7.348024 0.272912 -0.047070
C 8.442778 1.216372 -0.595994
C -3.348935 -1.081976 0.762373
C -2.301429 0.860980 -0.148063
C -4.412207 -0.112836 0.335469
C -3.790527 1.038301 -0.203416
C 9.872737 0.719801 -0.292310
C -5.808825 -0.223573 0.412726
C -4.541334 2.121835 -0.685189
C -6.578424 0.866027 -0.071508
C -5.954759 2.020119 -0.611613
H 2.423475 -1.629102 -0.023727
H 2.445979 -0.776483 1.546825
H 3.257300 1.333232 0.370750
H 3.257706 0.461120 -1.180120
H 0.661903 0.015818 -0.894469
H 0.675567 0.858354 0.706882
H 4.949566 -1.185845 -0.245281
H 4.952828 -0.302057 1.296254
H 5.786367 0.884311 -1.439647
H 5.778045 1.778066 0.095899
H 7.479832 0.160126 1.049425
H 7.486636 -0.738937 -0.482239
H 8.312865 1.326114 -1.692143
H 8.301471 2.228112 -0.163614
H 10.049392 -0.277385 -0.738102
H 10.635866 1.410206 -0.696187
H 10.039082 0.632770 0.798085
H -6.277781 -1.118903 0.832145
H -4.048691 3.006931 -1.099170
H -7.671691 0.817861 -0.028395
H -6.576221 2.844682 -0.976707


