%chk=000281372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281372

0 1
S -5.163999 -1.000072 -0.988691
S -7.565000 2.373606 0.608913
O -5.177508 -0.728450 -2.397163
O -5.836179 -2.131560 -0.416096
O 2.708487 0.738413 -0.266576
O 4.692661 -2.406049 1.530103
N 4.604152 0.336618 1.001309
N -5.716908 0.447114 -0.148063
N 1.365400 -1.465196 0.585699
N 0.419636 -0.806484 1.049724
N -7.982858 0.330194 -0.967918
C -3.529136 -0.966437 -0.416071
C 2.692982 -1.197262 1.195344
C 5.439043 1.416119 0.544095
C 6.830818 1.357144 0.821172
C -2.548710 -0.279147 -1.141192
C -3.187058 -1.666029 0.747005
C 3.320460 0.064080 0.533003
C -0.898715 -0.955426 0.482589
C -1.226545 -0.265670 -0.698063
C -1.871310 -1.665148 1.209370
C 4.895168 2.516072 -0.136511
C 3.597620 -2.437986 1.009924
C 7.636900 2.425588 0.410565
C 7.447274 0.199356 1.537127
C 5.725680 3.564818 -0.537902
C 7.093640 3.523450 -0.263986
C -7.016917 0.895978 -0.255200
C 3.090668 -3.590848 0.225504
C -9.161418 2.158873 -0.060797
C -9.190972 1.050120 -0.852392
H 2.626339 -0.991404 2.304653
H -2.813769 0.241896 -2.070709
H -3.953877 -2.228492 1.295990
H 5.062390 -0.350691 1.625869
H -0.453958 0.269648 -1.255942
H -1.602457 -2.203431 2.117297
H 3.824588 2.554827 -0.361895
H -5.087351 1.003623 0.441099
H 8.706674 2.400589 0.617221
H 7.189641 0.204040 2.606449
H 8.545094 0.213112 1.480360
H 7.132684 -0.768733 1.117388
H 5.297850 4.415670 -1.066914
H 7.739546 4.342026 -0.575673
H 3.855832 -4.375355 0.113736
H 2.767589 -3.286448 -0.786882
H 2.203839 -4.053104 0.688536
H -9.957309 2.844620 0.163916
H -10.044699 0.661228 -1.404126


%chk=000281372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281372

0 1
S -5.373752 -1.335000 -0.421999
S -7.118739 2.906590 -0.396996
O -5.450240 -1.773200 -1.976355
O -6.200940 -2.123625 0.720503
O 2.417470 1.063311 0.215139
O 4.878688 -2.401171 0.820290
N 4.602048 0.350864 0.761990
N -5.656978 0.499698 -0.257856
N 1.375278 -1.421019 0.410714
N 0.471101 -1.236675 1.319151
N -7.963314 0.401325 -0.902602
C -3.548920 -1.278681 0.091120
C 2.741162 -1.272691 0.958992
C 5.382343 1.533489 0.574206
C 6.790096 1.428211 0.810242
C -2.585343 -1.144792 -0.925973
C -3.247101 -1.418976 1.455790
C 3.249752 0.186399 0.576342
C -0.885174 -1.270374 0.826190
C -1.229174 -1.138146 -0.547582
C -1.884886 -1.399842 1.822930
C 4.803662 2.766254 0.175224
C 3.663149 -2.404288 0.463918
C 7.581358 2.586068 0.632376
C 7.426522 0.116381 1.240267
C 5.624310 3.901585 0.008146
C 7.015348 3.818798 0.234749
C -6.885405 1.064619 -0.534710
C 3.088271 -3.482394 -0.420347
C -8.832568 2.605250 -0.897689
C -9.053447 1.258676 -1.106624
H 2.731095 -1.292079 2.072539
H -2.894930 -1.064713 -1.973309
H -4.044553 -1.551807 2.193658
H 5.110047 -0.508132 1.031109
H -0.430590 -1.021087 -1.285558
H -1.576561 -1.486595 2.869126
H 3.727792 2.820850 -0.000464
H -4.837970 1.049878 0.009345
H 8.661127 2.516139 0.809437
H 7.034048 -0.240231 2.213061
H 8.516269 0.235617 1.354084
H 7.259943 -0.694784 0.504987
H 5.170583 4.849717 -0.300332
H 7.653339 4.699350 0.104407
H 3.868495 -4.216767 -0.670328
H 2.669877 -3.034151 -1.339821
H 2.240599 -3.985677 0.081224
H -9.521449 3.440957 -0.992719
H -10.005736 0.826273 -1.414794


