%chk=000260607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260607

0 1
S 0.625120 -3.248899 0.234528
S -0.619591 3.246626 -0.226090
S -3.472231 -0.328662 -0.466462
S 3.474377 0.331556 0.468916
O 0.231594 -1.637872 0.622818
O -0.229637 1.635001 -0.614301
O 1.026555 -3.262583 -1.146817
O -0.572984 -3.950482 0.625826
O 0.582505 3.944783 -0.611897
O -1.026198 3.260872 1.153704
O -3.337328 0.777160 -1.413240
O -3.421195 0.005153 0.939464
O 3.416937 -0.003058 -0.936611
O 3.344907 -0.774365 1.416330
N -2.246482 -1.475562 -0.802577
N 2.249159 1.476931 0.811428
C 0.134118 -0.647215 -0.405251
C -0.130552 0.644772 0.413983
C -0.989989 -0.986366 -1.408222
C 0.993588 0.984921 1.416580
C 1.931091 -3.517582 1.310453
C -1.920323 3.519565 -1.307222
C -4.930301 -1.213406 -0.811713
C 4.933031 1.218074 0.806813
H 1.108503 -0.583143 -0.956697
H -1.104711 0.580210 0.965760
H -1.179206 -0.087611 -2.049295
H -0.619972 -1.786315 -2.104736
H 1.184712 0.085831 2.056645
H 0.622461 1.783305 2.114288
H -2.051210 -2.195072 -0.075367
H 2.053308 2.200454 0.088225
H 1.641473 -3.924922 2.290578
H 2.718532 -4.177771 0.916400
H 2.491608 -2.570230 1.560134
H -2.483709 2.574028 -1.557472
H -2.706329 4.183774 -0.917132
H -1.625303 3.924076 -2.286916
H -5.502214 -1.472100 0.093689
H -5.625427 -0.654149 -1.457773
H -4.758004 -2.167960 -1.336938
H 5.493569 1.488765 -0.102188
H 4.763228 2.166156 1.344441
H 5.637721 0.654510 1.438613


%chk=000260607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260607

0 1
S 0.767436 -3.382631 0.191406
S -0.763699 3.386338 -0.187284
S -3.543067 -0.316289 -0.356212
S 3.549098 0.313785 0.362449
O 0.055547 -1.680904 0.693049
O -0.051949 1.684202 -0.689672
O 1.537764 -3.220709 -1.222825
O -0.493168 -4.387419 0.332657
O 0.495765 4.391921 -0.331617
O -1.530952 3.223940 1.228637
O -3.430347 0.932830 -1.407056
O -3.529157 -0.016684 1.246317
O 3.538799 0.009122 -1.239324
O 3.432375 -0.931973 1.416963
N -2.261433 -1.561258 -0.901967
N 2.267636 1.562176 0.901612
C 0.089925 -0.670102 -0.383814
C -0.085105 0.673383 0.386943
C -1.011080 -0.969787 -1.438923
C 1.017006 0.973709 1.440720
C 1.981472 -3.585837 1.634727
C -1.979925 3.587616 -1.629163
C -5.112625 -1.288839 -0.786211
C 5.118768 1.286210 0.792450
H 1.072482 -0.678542 -0.900710
H -1.067203 0.681633 0.904771
H -1.255132 -0.054868 -2.007075
H -0.615266 -1.717563 -2.152005
H 1.260222 0.059777 2.010860
H 0.622574 1.723586 2.152386
H -2.066333 -2.165241 -0.073886
H 2.072890 2.161906 0.070388
H 1.352459 -3.609248 2.534877
H 2.501535 -4.537005 1.451459
H 2.633676 -2.695596 1.580858
H -2.632495 2.697683 -1.573332
H -2.499811 4.539007 -1.446311
H -1.351825 3.610531 -2.529938
H -5.110139 -2.190197 -0.158149
H -5.949526 -0.616821 -0.551342
H -5.035413 -1.521290 -1.855422
H 5.117518 2.186013 0.162164
H 5.040273 1.521427 1.860963
H 5.955630 0.613205 0.560278


