%chk=000272451.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272451

0 1
S 3.451606 -1.351719 -1.115685
O 1.854232 -0.968084 -1.631908
O 0.398451 -3.784553 0.444546
O 0.717569 -1.820711 1.546275
O 4.245587 -1.397779 -2.309739
O 3.243807 -2.557612 -0.341676
O 0.075670 2.079985 -0.559242
O -1.325182 3.564554 0.137990
O -6.381428 0.416401 1.661138
O -5.737019 2.480383 1.568154
N -0.558384 -0.452207 -0.590759
N -1.021486 2.410252 -0.110092
N -5.554551 1.282789 1.421594
C -0.193795 -1.868655 -0.757466
C 0.907238 -2.007719 -1.869149
C 0.341332 -1.780014 -3.259127
C -1.742475 -0.029931 -0.067839
C 0.366843 -2.422959 0.563344
C 3.766890 0.015388 -0.165587
C -2.006746 1.370517 0.141255
C -2.785742 -0.965602 0.264903
C -3.262259 1.784349 0.629439
C 3.218051 0.125992 1.122079
C 4.552019 1.060938 -0.678452
C -3.997780 -0.541930 0.740065
C -4.248483 0.849738 0.919671
C 4.236574 2.314684 1.374659
C 3.454143 1.264260 1.888267
C 4.790064 2.199552 0.084684
C 1.209102 -4.501748 1.423922
C 4.460575 3.546981 2.180338
H -1.083310 -2.489849 -1.060272
H 1.383277 -3.016835 -1.770890
H 0.215053 0.228306 -0.803711
H -0.113668 -0.784159 -3.359550
H -0.407220 -2.529734 -3.535531
H 1.146272 -1.817375 -4.010854
H -2.600670 -2.032806 0.139129
H -3.455888 2.862965 0.781951
H 2.595210 -0.683355 1.533009
H 4.980727 0.980769 -1.685055
H -4.795799 -1.254139 0.992190
H 3.019003 1.344706 2.884279
H 5.395631 3.008902 -0.321268
H 2.265010 -4.284950 1.199909
H 0.941853 -4.191627 2.437883
H 0.951806 -5.546560 1.225419
H 4.471574 3.351549 3.262213
H 5.405391 4.052250 1.935328
H 3.652825 4.277300 1.998418


%chk=000272451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272451

0 1
S 3.513959 -1.408215 -1.052193
O 1.835850 -0.848237 -1.761621
O 0.329776 -3.808454 0.351235
O 0.616035 -1.761674 1.436928
O 4.566997 -1.525074 -2.269740
O 3.201275 -2.720673 -0.146828
O -0.116936 2.089637 -0.875888
O -1.630912 3.620359 -0.139031
O -6.402329 0.188667 2.016240
O -5.829228 2.389606 1.785149
N -0.682252 -0.476893 -0.759204
N -1.272722 2.399000 -0.342542
N -5.588655 1.126943 1.647971
C -0.245437 -1.860394 -0.900477
C 0.866818 -1.938652 -2.002328
C 0.311317 -1.740901 -3.420161
C -1.844678 -0.081478 -0.158542
C 0.277507 -2.430298 0.437426
C 3.873667 0.118362 -0.035425
C -2.182974 1.315427 0.039395
C -2.813721 -1.043016 0.300349
C -3.404250 1.704962 0.626709
C 3.153070 0.328390 1.152874
C 4.862396 0.985305 -0.526583
C -4.019223 -0.659053 0.879021
C -4.313659 0.722720 1.035845
C 4.456682 2.408293 1.447150
C 3.466049 1.489544 1.890321
C 5.149521 2.136605 0.238064
C 1.042302 -4.507434 1.455643
C 4.746433 3.666681 2.241682
H -1.071311 -2.512233 -1.240419
H 1.363864 -2.923400 -1.904758
H 0.001467 0.269789 -0.978852
H -0.197475 -0.766486 -3.512909
H -0.407543 -2.543122 -3.669232
H 1.139391 -1.771247 -4.146698
H -2.595707 -2.109103 0.202146
H -3.628518 2.766408 0.759069
H 2.380019 -0.369644 1.491408
H 5.387664 0.765390 -1.461082
H -4.747691 -1.397934 1.223101
H 2.922993 1.687305 2.821240
H 5.917506 2.833309 -0.114999
H 2.103911 -4.213808 1.422678
H 0.597932 -4.235180 2.426929
H 0.912900 -5.576441 1.239628
H 4.757207 3.466349 3.327560
H 5.716538 4.111182 1.963040
H 3.965673 4.429711 2.058909


