%chk=000270998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270998

0 1
S 4.912491 2.336475 0.013729
O -3.911488 1.534711 -2.564349
O -2.130287 -2.682109 1.032036
O 4.769806 3.661782 0.588104
O 5.785989 2.134375 -1.108223
O -1.557133 -3.247728 -1.095030
N -4.577314 0.138570 -0.780072
N -4.090222 -0.981580 -0.145414
N -1.251736 0.312586 -1.756864
N -0.455856 -0.031314 -0.869395
N 5.543338 1.487795 1.407135
N 5.342265 -0.609161 0.366803
C -2.530625 -0.422192 -1.840285
C -2.951457 -1.339442 -0.694494
C -3.700188 0.603153 -1.848277
C -5.814560 0.734346 -0.322993
C 3.354084 1.676229 -0.281545
C -2.136654 -2.522229 -0.320641
C 0.825809 0.627561 -0.759433
C -6.456576 0.232991 0.824023
C -6.358783 1.812160 -1.041463
C 3.193874 0.642302 -1.211218
C 2.243423 2.194880 0.397938
C 1.925794 0.109955 -1.459669
C 0.970355 1.677234 0.166099
C -7.650921 0.820461 1.243397
C -7.554247 2.384540 -0.600183
C -8.202914 1.894454 0.536853
C 5.800729 0.112810 1.445041
C -1.322787 -3.780512 1.582326
C 6.471036 -0.493507 2.539484
C 0.141746 -3.405559 1.545545
C 6.676553 -1.868390 2.500546
C 5.565680 -1.948960 0.363918
C 6.224189 -2.616298 1.404462
H -2.521703 -0.991548 -2.817523
H -6.032950 -0.604151 1.381784
H -5.864659 2.209445 -1.932010
H 4.066256 0.245666 -1.750528
H 2.370491 3.022025 1.108325
H 1.797239 -0.695166 -2.182625
H 0.103887 2.077774 0.691017
H 5.872873 2.040189 2.210714
H -8.154699 0.436331 2.130800
H -7.981011 3.222073 -1.153187
H -9.134340 2.346782 0.871975
H -1.739535 -3.833557 2.605650
H -1.547925 -4.699776 1.013830
H 6.819210 0.100743 3.377546
H 0.313230 -2.406601 1.970372
H 0.754604 -4.118565 2.109437
H 0.523851 -3.382386 0.513373
H 7.192567 -2.365846 3.323392
H 5.193414 -2.487317 -0.516631
H 6.384687 -3.688604 1.359700


%chk=000270998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270998

0 1
S 4.557946 2.208205 1.564524
O -3.088434 0.548877 -3.072323
O -3.403034 -3.007194 1.710907
O 4.375046 2.682804 3.111939
O 5.030499 3.250981 0.420520
O -1.620153 -3.545936 0.288429
N -4.313477 -0.086604 -1.110049
N -4.196905 -1.050571 -0.079773
N -0.929919 -0.658970 -1.248382
N -0.720732 -0.383735 -0.000186
N 5.764623 0.806961 1.800059
N 5.844556 0.244412 -0.486044
C -2.295914 -1.253314 -1.484971
C -3.073031 -1.722010 -0.275475
C -3.238030 -0.144166 -2.042905
C -5.460105 0.777973 -1.107191
C 2.959108 1.358303 1.025016
C -2.617592 -2.835938 0.583975
C 0.562889 0.216812 0.271145
C -6.432165 0.621504 -0.085871
C -5.616270 1.773977 -2.105494
C 2.733997 1.155058 -0.348130
C 2.046721 1.034311 2.040032
C 1.510741 0.574846 -0.728349
C 0.825007 0.449794 1.644409
C -7.559490 1.466789 -0.068553
C -6.753399 2.609562 -2.068501
C -7.728745 2.464891 -1.056683
C 6.466220 0.234616 0.730404
C -2.985548 -4.102964 2.644577
C 7.737641 -0.374308 0.944276
C -1.908230 -3.603891 3.611019
C 8.358399 -1.014533 -0.144492
C 6.477878 -0.362273 -1.528770
C 7.725335 -1.012302 -1.411786
H -2.148934 -2.038503 -2.246503
H -6.292641 -0.149925 0.674535
H -4.867492 1.889519 -2.891281
H 3.503203 1.431738 -1.073677
H 2.278627 1.251413 3.087019
H 1.271967 0.391792 -1.779816
H 0.062741 0.170685 2.378057
H 6.230431 0.937438 2.707949
H -8.307725 1.343809 0.722030
H -6.871605 3.378175 -2.839991
H -8.607034 3.118721 -1.037484
H -3.922012 -4.363041 3.162240
H -2.626633 -4.958238 2.045498
H 8.213196 -0.347163 1.929966
H -2.254442 -2.708947 4.155806
H -1.681207 -4.393430 4.351158
H -0.977835 -3.360741 3.071137
H 9.331670 -1.497696 -0.008737
H 5.954237 -0.320500 -2.490373
H 8.184953 -1.489172 -2.281537


