%chk=000281387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281387

0 1
S 5.057726 0.885627 0.219427
S 8.418933 -1.859577 1.218162
O -4.613496 -1.624495 1.900095
O 5.278239 1.093234 -1.180524
O 5.239576 1.913223 1.200808
O -2.007148 -3.170723 -1.134529
N -3.814605 -0.175011 0.281666
N -1.292176 -1.291860 0.744577
N 6.043079 -0.503488 0.713503
N -0.192112 -1.775274 1.059584
N 8.185331 0.590425 0.373449
N 9.506568 0.356240 0.475733
C -4.743010 1.902064 -0.660862
C -4.892822 0.773287 0.234650
C -5.806060 2.839651 -0.734530
C -2.471987 -2.152932 0.997803
C -6.034480 0.621791 0.994860
C -3.582207 2.117051 -1.468607
C -6.979822 2.655939 0.063729
C -3.740049 -1.276537 1.127326
C -5.688139 3.965640 -1.611885
C 3.515633 0.136771 0.453380
C -7.083205 1.576640 0.902543
C -3.492952 3.204764 -2.301208
C -4.561956 4.143192 -2.374768
C 1.014896 -1.022762 0.815062
C 2.858295 0.266292 1.682714
C 2.908336 -0.553556 -0.602774
C -2.683286 -3.191103 -0.140358
C 1.605034 -0.314030 1.876382
C 1.655519 -1.140763 -0.431407
C -3.758468 -4.182814 0.139618
C 7.414275 -0.457445 0.720315
C 9.843915 -0.844446 0.893437
H -2.386800 -2.729564 1.967643
H -2.999452 0.045848 -0.312946
H -6.156592 -0.224457 1.679879
H -2.757104 1.404010 -1.418731
H -7.781930 3.388252 -0.009414
H -6.512545 4.676638 -1.658449
H -7.971709 1.426867 1.517253
H -2.608076 3.367248 -2.915403
H -4.466039 4.997766 -3.043848
H 3.322846 0.836702 2.498348
H 3.411179 -0.624647 -1.576588
H 1.090400 -0.216362 2.832481
H 1.175782 -1.681314 -1.250237
H 5.612282 -1.386969 1.009544
H -3.358373 -5.066391 0.662983
H -4.577063 -3.788986 0.768306
H -4.212063 -4.556160 -0.793721
H 10.849486 -1.212297 1.036328


%chk=000281387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281387

0 1
S 4.639365 1.235028 0.818617
S 7.913439 -1.622614 -0.689878
O -5.178465 -1.961284 1.424228
O 4.425341 2.237413 -0.430388
O 5.186435 1.744401 2.250268
O -1.881684 -3.704535 -0.560937
N -3.808785 -0.360719 0.344678
N -1.572036 -1.501097 1.050476
N 5.630164 -0.268097 0.260575
N -0.572053 -1.762368 1.829128
N 7.630626 0.991198 -0.093144
N 8.956036 0.840462 -0.521522
C -4.180167 1.815681 -0.729689
C -4.726285 0.632475 -0.091149
C -5.106152 2.825231 -1.204290
C -2.754631 -2.346888 1.305299
C -6.112890 0.485017 0.075927
C -2.774507 2.045892 -0.912058
C -6.516474 2.640769 -1.024996
C -4.053518 -1.527356 1.035884
C -4.592938 4.001364 -1.845007
C 3.025085 0.283441 1.099564
C -7.001419 1.495707 -0.393653
C -2.305079 3.204308 -1.537310
C -3.221175 4.192348 -2.013048
C 0.627141 -1.022916 1.528313
C 2.785123 -0.240111 2.381244
C 2.124404 0.190606 0.022399
C -2.724275 -3.609521 0.359888
C 1.566082 -0.919756 2.586428
C 0.904874 -0.477200 0.243882
C -3.751835 -4.670529 0.688298
C 6.946412 -0.156275 -0.112024
C 9.275102 -0.395784 -0.858635
H -2.791901 -2.720786 2.347771
H -2.804587 -0.217791 0.162022
H -6.500717 -0.408615 0.568015
H -2.030285 1.324231 -0.554224
H -7.203013 3.413279 -1.389216
H -5.305632 4.754824 -2.200472
H -8.078486 1.356677 -0.253320
H -1.227871 3.360352 -1.659935
H -2.841547 5.095340 -2.502367
H 3.515576 -0.106322 3.185385
H 2.370132 0.638434 -0.946194
H 1.321312 -1.366367 3.554712
H 0.175757 -0.607317 -0.561482
H 5.115651 -1.150765 0.243996
H -3.423847 -5.225516 1.589386
H -4.727258 -4.213350 0.931654
H -3.841626 -5.378320 -0.150072
H 10.258685 -0.701081 -1.212227


