%chk=000270110.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270110

0 1
S -4.639595 0.585222 0.483374
O -4.878395 1.303881 1.721507
O -5.394039 0.958753 -0.704009
O 3.336649 0.731813 -0.949614
O 2.219294 0.073433 0.961172
N -4.881095 -1.091714 0.846547
N 1.112418 0.823946 -0.986293
C -5.926838 -1.361789 1.875383
C -5.026915 -1.985001 -0.338139
C -7.357312 -1.311500 1.311398
C -6.432071 -1.925116 -0.961329
C -7.505942 -2.230158 0.090824
C -2.960578 0.632649 0.077004
C -1.990936 0.282189 1.022646
C -2.571108 1.048092 -1.202307
C -0.635570 0.331939 0.700546
C -1.224374 1.108688 -1.548242
C -0.252310 0.747185 -0.587177
C 4.369197 -1.977372 -0.848617
C 5.160141 -0.781263 -0.363460
C 4.608134 0.508142 -0.360726
C 5.214866 -2.895267 -1.738651
C 3.799132 -2.732334 0.358026
C 6.468669 -0.895454 0.130819
C 5.275954 1.644529 0.094766
C 6.587180 1.498213 0.572212
C 7.172665 0.220707 0.587160
C 2.207809 0.489834 -0.169118
C 7.334264 2.690873 1.068940
H -5.719985 -2.368308 2.304039
H -5.810738 -0.630239 2.710194
H -4.252447 -1.727399 -1.091669
H -4.802525 -3.023359 -0.001038
H -7.620303 -0.271135 1.031183
H -8.078282 -1.599553 2.098326
H -6.504489 -2.633728 -1.804594
H -6.605209 -0.912765 -1.393429
H -7.437551 -3.288979 0.405348
H -8.511871 -2.104513 -0.352633
H -2.289873 -0.034951 2.028362
H -3.334804 1.330804 -1.940309
H 0.117076 0.054885 1.446894
H -0.934985 1.434936 -2.544157
H 3.510965 -1.603215 -1.468390
H 6.011886 -3.394702 -1.177419
H 4.597263 -3.680627 -2.188559
H 5.685569 -2.334744 -2.554378
H 3.190313 -2.065181 0.987880
H 3.163670 -3.566046 0.044611
H 4.590561 -3.140083 0.995613
H 6.942079 -1.877873 0.160883
H 1.318261 1.162496 -1.934286
H 4.784793 2.614313 0.073925
H 8.186572 0.096132 0.963880
H 6.901674 3.060816 2.011343
H 8.394002 2.479616 1.263151
H 7.298687 3.521479 0.349387


%chk=000270110-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270110

0 1
S -4.762133 0.620504 0.623649
O -4.967639 1.241427 2.117374
O -5.541025 1.282432 -0.660898
O 3.376271 0.735354 -0.947144
O 2.305279 0.063950 1.060029
N -5.036423 -1.264972 0.843237
N 1.130524 0.803654 -0.865656
C -6.146875 -1.511047 1.813493
C -5.214813 -1.939558 -0.480939
C -7.568734 -1.382699 1.220596
C -6.629732 -1.823735 -1.097751
C -7.711211 -2.226837 -0.067787
C -2.936014 0.623236 0.181684
C -1.994039 0.251957 1.154951
C -2.575789 1.057287 -1.104362
C -0.624205 0.299889 0.829415
C -1.207056 1.106360 -1.427716
C -0.226845 0.726968 -0.469124
C 4.439943 -2.037612 -0.671760
C 5.228823 -0.781459 -0.296545
C 4.693800 0.524750 -0.399266
C 5.186942 -2.887426 -1.733150
C 4.110976 -2.879043 0.591777
C 6.559836 -0.865872 0.186827
C 5.418181 1.682485 -0.062849
C 6.747166 1.579566 0.414155
C 7.304549 0.281074 0.533243
C 2.254726 0.486887 -0.114398
C 7.533908 2.820806 0.797092
H -5.972218 -2.542789 2.183084
H -5.999903 -0.820609 2.662735
H -4.441364 -1.557074 -1.172388
H -4.972565 -3.004576 -0.283087
H -7.774051 -0.317735 0.995721
H -8.305054 -1.702280 1.982732
H -6.681404 -2.472918 -1.993272
H -6.795545 -0.781642 -1.428036
H -7.605571 -3.303773 0.182838
H -8.719447 -2.096203 -0.502703
H -2.318997 -0.063494 2.150793
H -3.349865 1.362673 -1.815850
H 0.133852 0.017628 1.562316
H -0.898515 1.444167 -2.424281
H 3.481166 -1.719502 -1.123033
H 6.142282 -3.279096 -1.337282
H 4.569599 -3.754965 -2.031554
H 5.412360 -2.294302 -2.637802
H 3.549362 -2.275283 1.325311
H 3.502143 -3.761706 0.320624
H 5.036965 -3.240985 1.076598
H 7.023210 -1.853802 0.290073
H 1.330406 1.138517 -1.811201
H 4.936604 2.660133 -0.175637
H 8.331427 0.169234 0.900623
H 7.121382 3.289421 1.710888
H 8.592458 2.580434 0.995016
H 7.502495 3.583396 -0.002600


