%chk=000202209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202209

0 1
S 0.024394 -1.215367 -0.570935
S 0.529508 -2.700325 1.214234
O -0.472973 0.635629 -2.321643
O 4.517745 -1.560494 2.496838
N -2.296778 2.018868 -2.630417
N 3.333997 -0.840074 0.638558
C -1.585027 2.899268 -3.577002
C 4.486609 -1.012078 -0.267620
C -1.016468 4.174178 -2.909140
C 4.069222 -1.019230 -1.751499
C -2.467630 0.096418 -1.082578
C 2.188590 -0.977767 2.830488
C -1.694664 0.931411 -2.046015
C 3.424946 -1.174003 1.969200
C -1.785224 -0.926375 -0.331357
C 0.891603 -1.530267 2.592268
C -0.280189 5.067832 -3.929558
C 3.527375 0.336126 -2.261354
C -3.868562 0.263104 -0.898545
C 2.397134 -0.229324 4.019895
C -2.528033 -1.729616 0.567439
C -0.156215 -1.291040 3.521116
C -4.591613 -0.537107 0.001371
C 1.349489 0.013449 4.930091
C -3.911464 -1.537371 0.735344
C 0.063072 -0.515858 4.677650
H -2.279567 3.174268 -4.394236
H -0.760461 2.308285 -4.010995
H 4.987563 -1.957834 0.008788
H 5.223599 -0.201195 -0.089745
H -1.839593 4.744855 -2.434071
H -0.325137 3.870605 -2.100921
H 4.963143 -1.298327 -2.342507
H 3.317157 -1.815064 -1.918089
H -3.232289 2.292862 -2.329681
H 2.450249 -0.487054 0.260275
H 0.567821 4.528139 -4.390347
H -0.956406 5.393611 -4.742590
H 0.122233 5.974286 -3.443807
H 2.551165 0.594946 -1.815180
H 4.240616 1.152046 -2.035730
H 3.374395 0.307669 -3.355342
H -4.416095 1.009563 -1.486921
H 3.407381 0.142946 4.218537
H -2.007734 -2.516581 1.124135
H -1.140155 -1.731529 3.332867
H -5.670237 -0.395691 0.121466
H 1.536940 0.602644 5.834311
H -4.461767 -2.179164 1.431906
H -0.757966 -0.341470 5.381551


%chk=000202209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202209

0 1
S -0.128564 -1.683846 -0.652871
S 0.502636 -2.945340 1.263446
O -0.534375 -0.023023 -2.468991
O 4.391254 -0.975965 2.108315
N -2.082416 1.691932 -2.645317
N 2.866091 -0.712072 0.366676
C -1.288814 2.414398 -3.659218
C 3.873709 -0.659723 -0.706407
C -0.270269 3.403033 -3.041306
C 3.452463 0.315021 -1.828428
C -2.477758 -0.163577 -1.055836
C 2.031240 -0.921527 2.672867
C -1.650857 0.505793 -2.099442
C 3.189714 -0.906679 1.688670
C -1.872496 -1.209361 -0.290283
C 0.819734 -1.670263 2.559271
C 0.558942 4.115515 -4.130451
C 3.392675 1.787408 -1.367785
C -3.838184 0.171115 -0.815252
C 2.233077 -0.135900 3.838959
C -2.632235 -1.877910 0.698300
C -0.161582 -1.577725 3.583994
C -4.587814 -0.496571 0.170153
C 1.254493 -0.046799 4.849117
C -3.975915 -1.523276 0.928936
C 0.045059 -0.767437 4.718883
H -1.986248 2.950737 -4.330238
H -0.750225 1.657610 -4.255565
H 4.024907 -1.675443 -1.126885
H 4.829310 -0.353387 -0.244244
H -0.806195 4.150590 -2.423241
H 0.398363 2.840123 -2.363821
H 4.180756 0.210686 -2.656204
H 2.467291 0.009091 -2.235776
H -2.902850 2.153258 -2.251732
H 1.877942 -0.668863 0.091256
H 1.128141 3.385816 -4.736045
H -0.087794 4.693919 -4.817250
H 1.283361 4.817149 -3.680298
H 2.675386 1.914825 -0.536292
H 4.381497 2.131655 -1.011355
H 3.078592 2.450130 -2.195939
H -4.332729 0.934193 -1.428444
H 3.189829 0.387220 3.935817
H -2.161799 -2.683300 1.272336
H -1.078974 -2.166954 3.489704
H -5.637472 -0.234369 0.336176
H 1.436599 0.573781 5.733160
H -4.550506 -2.059910 1.691722
H -0.723291 -0.712980 5.497664


