%chk=000239491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239491

0 1
S -1.480730 -0.354909 1.308084
O -2.911471 -0.538971 2.904819
O -5.064629 -0.766239 3.134936
N 3.366478 0.467690 0.630624
N 1.690658 -0.493542 1.886370
N 1.968139 1.327290 -1.261042
N -0.435121 0.801139 -0.921450
N -3.149138 -1.067021 -0.991291
N -5.107747 -1.291396 0.183578
N 0.340406 1.880503 -2.892921
N -4.068507 -0.736191 2.453700
C 5.466956 -0.318443 -0.543466
C 4.723696 0.829194 0.189583
C 2.182889 0.674708 -0.073828
C 4.690059 -0.786843 -1.774150
C 5.771839 -1.485953 0.397269
C 1.132491 0.075986 0.731625
C 3.005537 -0.264647 1.810725
C -0.185441 0.182919 0.241813
C -2.846486 -0.756009 0.307927
C 0.648717 1.339525 -1.639310
C -4.067668 -0.916779 1.031959
C -4.551503 -1.376839 -1.033082
C -2.259050 -1.112905 -2.152815
H 6.442085 0.117683 -0.887701
H 5.309273 1.157100 1.078052
H 4.644372 1.711188 -0.493601
H 5.293793 -1.455346 -2.396809
H 3.778906 -1.332646 -1.499718
H 4.372036 0.057625 -2.399822
H 6.385877 -2.243466 -0.105850
H 6.319499 -1.164436 1.288596
H 4.858057 -1.994364 0.728524
H 3.747615 -0.562196 2.539507
H -5.057707 -1.644800 -1.949095
H -1.294434 -1.594523 -1.900239
H -2.719896 -1.679513 -2.979328
H -2.025974 -0.086768 -2.511596
H 1.048996 2.467153 -3.319695
H -0.608874 2.205341 -3.027880


%chk=000239491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239491

0 1
S -1.398277 -1.350988 1.389495
O -3.654444 0.155259 2.988034
O -5.165800 1.466946 1.873803
N 3.345102 0.234445 0.647808
N 1.898746 -1.106314 1.843432
N 1.742845 1.229029 -0.953965
N -0.547347 0.392180 -0.600737
N -3.101349 -1.505643 -0.857696
N -4.934178 -0.260865 -0.348635
N -0.061507 1.952082 -2.278203
N -4.307986 0.507558 1.923962
C 5.508120 0.062052 -0.694761
C 4.590715 0.909724 0.231061
C 2.085954 0.414317 0.074380
C 4.789249 -0.341949 -2.002211
C 6.098735 -1.170703 0.028196
C 1.200325 -0.426044 0.829257
C 3.165962 -0.685419 1.702943
C -0.154540 -0.379849 0.432285
C -2.874644 -0.989571 0.424415
C 0.403586 1.170248 -1.246049
C -4.030876 -0.235300 0.705430
C -4.343018 -1.034359 -1.277806
C -2.171969 -2.334298 -1.637194
H 6.347855 0.740787 -0.956014
H 5.142938 1.200370 1.144193
H 4.283122 1.831359 -0.294478
H 5.491990 -0.844377 -2.691311
H 3.960128 -1.043688 -1.795644
H 4.362260 0.537077 -2.517426
H 6.825039 -1.689024 -0.623427
H 6.624408 -0.886215 0.959581
H 5.307875 -1.899784 0.285167
H 3.993807 -0.994713 2.337064
H -4.770080 -1.287537 -2.245331
H -1.735933 -3.113821 -0.991203
H -2.724708 -2.812570 -2.461045
H -1.360090 -1.709069 -2.044493
H 0.583956 2.573188 -2.758104
H -1.061974 1.995776 -2.451770


