%chk=000286349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286349

0 1
S -0.573701 -0.099908 1.352831
O -0.718775 -1.535144 1.279434
O -0.807836 0.553827 2.618585
O 6.063441 -1.652370 -0.515284
N -1.748965 0.508608 0.216849
N -2.662559 2.214218 -0.827161
N -1.630977 1.797182 -0.274600
N 5.051607 0.384450 -0.680018
C -3.202007 0.068017 0.145314
C 0.963302 0.433386 0.676680
C -3.788669 1.200929 -0.778572
C 1.283477 -0.328932 -0.617136
C 2.069942 0.225877 1.723164
C -3.802835 -0.073299 1.548357
C 3.756344 -0.097037 -0.130635
C 2.643639 0.099300 -1.182299
C 3.430333 0.668081 1.170197
C -5.113869 1.856307 -0.389333
C -5.278176 0.326616 1.599283
C -5.443943 1.765352 1.101131
C 6.144679 -0.478281 -0.831128
C 7.383437 0.157383 -1.398958
H -3.232870 -0.910960 -0.389856
H 0.921561 1.530906 0.431566
H -3.889439 0.795869 -1.820513
H 0.498088 -0.147459 -1.379690
H 1.283395 -1.425299 -0.428617
H 2.126818 -0.841782 2.025748
H 1.840688 0.799341 2.647147
H -3.243603 0.550353 2.284828
H -3.676351 -1.117084 1.902280
H 3.862105 -1.195500 0.099532
H 2.877105 -0.494583 -2.087952
H 2.600769 1.153976 -1.513366
H 3.432664 1.759847 0.993429
H 4.221066 0.480193 1.923194
H -5.928137 1.382673 -0.975149
H -5.100562 2.922285 -0.705544
H -5.651866 0.234788 2.637722
H -5.891667 -0.366871 0.993471
H -6.476709 2.119775 1.279335
H -4.785521 2.445262 1.678804
H 5.109121 1.361240 -0.939441
H 8.181571 -0.599213 -1.487226
H 7.221706 0.569410 -2.402794
H 7.773378 0.959070 -0.759312


%chk=000286349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286349

0 1
S -0.629842 -0.293632 1.410006
O -0.891684 -1.884617 1.202494
O -0.771663 0.340799 2.901869
O 6.376951 -1.488783 -0.092806
N -1.810669 0.528733 0.124355
N -2.762228 2.525738 -0.310809
N -1.675899 1.974250 0.119927
N 5.117348 0.335433 -0.805069
C -3.285750 0.186285 0.142292
C 1.071012 0.295697 0.594262
C -3.787028 1.429979 -0.657952
C 1.368705 -0.599021 -0.607222
C 2.150232 0.268264 1.679075
C -3.872993 0.067466 1.573745
C 3.857356 -0.123571 -0.194052
C 2.713023 -0.141270 -1.238985
C 3.482557 0.742200 1.037814
C -5.237525 1.882142 -0.423322
C -5.394614 0.338853 1.588390
C -5.686922 1.757592 1.048977
C 6.304542 -0.380853 -0.706575
C 7.513046 0.251779 -1.391504
H -3.432680 -0.739673 -0.433768
H 0.789000 1.325259 0.307675
H -3.623030 1.245685 -1.740802
H 0.556194 -0.538020 -1.352281
H 1.442656 -1.653362 -0.280722
H 2.273930 -0.761083 2.068059
H 1.871264 0.915919 2.528109
H -3.377759 0.800016 2.239476
H -3.642742 -0.935872 1.975242
H 4.058369 -1.156922 0.148107
H 2.978401 -0.819304 -2.070362
H 2.589351 0.874912 -1.669843
H 3.391263 1.805121 0.731575
H 4.292416 0.684778 1.787057
H -5.902451 1.264173 -1.058260
H -5.330717 2.925653 -0.778455
H -5.770766 0.231291 2.622542
H -5.928918 -0.414454 0.973074
H -6.765290 1.991353 1.124993
H -5.149330 2.501370 1.670293
H 5.115552 1.230644 -1.298110
H 7.890668 -0.439076 -2.165121
H 7.298297 1.228408 -1.859563
H 8.319565 0.380519 -0.649529


