%chk=000262186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262186

0 1
S -0.009797 3.454447 0.026288
O -0.280458 4.194684 -1.200620
O 0.257234 4.179200 1.263189
O 4.193036 -1.004021 -2.981000
O -4.189854 -1.066286 2.971682
N 4.618736 -0.179933 -0.865483
N -4.620393 -0.214482 0.868159
N 5.988614 -2.847928 -0.812393
N -5.977021 -2.888450 0.778195
N 6.949049 -2.659002 0.213667
N -6.938525 -2.690129 -0.245082
N 7.425925 -2.439373 2.501891
N 5.166043 -2.014882 1.809751
N -5.159068 -2.014566 -1.832095
N -7.416794 -2.441023 -2.530013
C 1.329736 2.392380 -0.256435
C -1.344066 2.382016 0.294431
C 1.526304 1.819268 -1.516779
C -1.537492 1.790374 1.546672
C 2.235501 2.125884 0.776245
C -2.248814 2.125586 -0.741685
C 3.493440 0.676841 -0.701208
C -3.499293 0.649934 0.715622
C 2.595083 0.956145 -1.748103
C -2.602003 0.918917 1.766127
C 3.312544 1.268787 0.571315
C -3.321627 1.260486 -0.548535
C 4.891552 -0.992781 -1.989777
C -4.888814 -1.044445 1.980950
C 6.177346 -1.818329 -1.884994
C -6.170621 -1.874672 1.864913
C 6.488944 -2.389379 1.428391
C -6.479962 -2.401188 -1.455932
H 0.841647 2.054348 -2.339276
H -0.853757 2.017240 2.372233
H 2.100944 2.602549 1.755676
H -2.116832 2.616543 -1.714388
H 2.736792 0.502797 -2.735350
H -2.741223 0.451105 2.746958
H 4.006051 1.063859 1.383353
H -4.014353 1.063562 -1.363216
H 5.231654 -0.275436 -0.045407
H -5.233135 -0.301394 0.047002
H 7.055789 -1.152722 -1.716044
H 6.353138 -2.296559 -2.876745
H -6.343929 -2.367391 2.849986
H -7.052320 -1.211096 1.705222
H 6.184315 -3.784475 -1.219422
H -6.168085 -3.831467 1.172291
H 7.355540 -1.687577 3.179603
H 8.392457 -2.579206 2.207094
H 4.441040 -2.309169 1.152664
H 4.894483 -2.233877 2.763783
H -4.432464 -2.314312 -1.179265
H -4.886536 -2.218750 -2.789134
H -8.382521 -2.590207 -2.237149
H -7.350580 -1.679245 -3.196921


%chk=000262186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262186

0 1
S -0.008351 2.476672 0.027132
O -0.220368 3.266222 -1.395081
O 0.200221 3.242588 1.462713
O 5.078735 -1.509596 -2.923271
O -5.086365 -1.569779 2.910424
N 4.883479 -1.091534 -0.607247
N -4.884437 -1.123208 0.600339
N 7.215752 -2.284794 -0.004538
N -7.208417 -2.321258 -0.025613
N 8.076294 -1.072531 0.058500
N -8.072863 -1.111281 -0.079903
N 8.880248 0.565181 1.520868
N 7.269386 -0.968403 2.340719
N -7.253659 -0.978720 -2.356369
N -8.873964 0.540310 -1.528235
C 1.487828 1.344637 -0.192701
C -1.499443 1.334444 0.227696
C 1.840770 0.931635 -1.486978
C -1.853599 0.902259 1.515335
C 2.235482 1.010815 0.948651
C -2.242688 1.012661 -0.919985
C 3.739591 -0.269840 -0.514427
C -3.744293 -0.294825 0.521706
C 2.973654 0.109291 -1.654278
C -2.983076 0.072486 1.668549
C 3.368901 0.194991 0.780477
C -3.372570 0.189213 -0.765854
C 5.490776 -1.629750 -1.732156
C -5.493488 -1.677584 1.716428
C 6.750085 -2.454141 -1.404099
C -6.747960 -2.503526 1.374041
C 8.052113 -0.527193 1.276414
C -8.043772 -0.552158 -1.291487
H 1.255989 1.267262 -2.349887
H -1.272393 1.228844 2.384115
H 1.949055 1.406788 1.928396
H -1.955978 1.423443 -1.893531
H 3.284222 -0.236541 -2.642201
H -3.294656 -0.287969 2.650908
H 3.982154 -0.073216 1.649282
H -3.982465 -0.069926 -1.639760
H 5.394825 -1.326364 0.257379
H -5.391336 -1.349811 -0.269037
H 7.529434 -2.161215 -2.133818
H 6.497550 -3.518084 -1.575716
H -6.491886 -3.568205 1.535503
H -7.531631 -2.221548 2.103463
H 7.776249 -3.110225 0.273427
H -7.765049 -3.145583 -0.314325
H 8.605463 1.267433 2.205091
H 9.450839 0.867670 0.732699
H 6.698175 -1.793670 2.161987
H 7.466546 -0.688403 3.297614
H -6.681835 -1.804926 -2.183911
H -7.446978 -0.688934 -3.311148
H -9.449681 0.832399 -0.739878
H -8.598020 1.250697 -2.203516


