%chk=000291482.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291482

0 1
S -3.168644 -0.975372 1.505613
S 3.081321 -0.337943 0.182351
O -4.741736 -1.331391 1.251636
O -2.631191 -0.630958 3.007025
O 2.929034 -0.123017 1.795076
O 2.778802 -1.814725 -0.477402
O -5.132716 1.710130 -2.262242
O -3.790152 -0.216399 -2.379691
N -2.820061 0.466259 0.280050
N 1.965203 1.215035 -0.710547
C -1.604994 1.186326 0.525735
C -0.460402 0.849897 -0.253223
C 0.796184 1.493448 0.035409
C -1.514920 2.177080 1.566865
C 0.899100 2.468711 1.082339
C -0.268216 2.799401 1.801689
C -4.043013 1.072685 -0.235454
C -0.540306 -0.155445 -1.384157
C -2.697625 2.532887 2.443781
C -2.074476 -2.340753 0.817924
C 2.218779 3.124186 1.413532
C -4.262258 0.757896 -1.723035
C 4.840539 0.127862 -0.329395
C -2.592855 -3.140769 -0.212691
C -0.786315 -2.474102 1.361089
C -1.747541 -4.147930 -0.732111
C 0.049785 -3.471034 0.806534
C 5.492360 1.159511 0.365508
C 5.426401 -0.602999 -1.375640
C -0.432460 -4.303346 -0.230861
C 6.814490 1.477306 -0.021349
C 6.749665 -0.269218 -1.748322
C 7.437110 0.768840 -1.076764
C -5.535499 1.494392 -3.674531
H -0.199537 3.552314 2.595325
H -4.922228 0.647063 0.298050
H -4.067791 2.168167 -0.099503
H -0.239093 0.304591 -2.347484
H 0.124290 -1.021791 -1.207515
H -1.570475 -0.519005 -1.505199
H 1.740241 0.706874 -1.592137
H -3.586977 2.830801 1.860099
H -2.445735 3.367230 3.118928
H -2.985607 1.661328 3.060449
H 2.826591 2.435594 2.031867
H 2.793504 3.335587 0.495657
H 2.070176 4.057317 1.982584
H -3.607724 -2.983346 -0.590210
H -0.448084 -1.826366 2.175622
H -2.113295 -4.797808 -1.533845
H 1.076084 -3.575299 1.169147
H 4.997909 1.679431 1.191521
H 4.873492 -1.415623 -1.858052
H 0.223573 -5.070573 -0.655639
H 7.354579 2.273041 0.502083
H 7.239553 -0.821889 -2.556744
H 8.461863 1.020844 -1.370299
H -6.242710 2.306672 -3.891274
H -4.652771 1.548211 -4.333527
H -6.014219 0.507180 -3.786949


%chk=000291482-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291482

0 1
S -2.839261 -0.926125 1.657793
S 2.984255 -0.516576 -0.516088
O -4.432915 -1.290494 1.725104
O -2.043531 -0.422000 2.988497
O 2.408051 -0.873356 0.977710
O 3.023787 -1.650043 -1.701735
O -5.383253 1.745634 -1.874852
O -3.988341 -0.067418 -2.323890
N -2.726147 0.411290 0.232860
N 1.905839 1.119769 -1.308935
C -1.519169 1.179731 0.288426
C -0.456103 0.789522 -0.579849
C 0.815457 1.456180 -0.473782
C -1.335550 2.254956 1.227218
C 1.016642 2.504689 0.484201
C -0.073786 2.891880 1.287685
C -4.036401 0.986519 -0.057856
C -0.646658 -0.295562 -1.619120
C -2.437105 2.720339 2.157918
C -1.898041 -2.385977 0.938021
C 2.364200 3.172550 0.633298
C -4.416216 0.797327 -1.532229
C 4.749639 0.111427 -0.280877
C -2.632042 -3.331423 0.203373
C -0.515262 -2.455838 1.171469
C -1.919237 -4.428455 -0.331858
C 0.177892 -3.554206 0.610400
C 5.148675 0.494893 1.009279
C 5.594233 0.129914 -1.402599
C -0.521272 -4.534234 -0.132426
C 6.482644 0.932935 1.178503
C 6.923036 0.575878 -1.213016
C 7.361847 0.978881 0.070655
C -5.926578 1.641972 -3.252250
H 0.068735 3.704453 2.009861
H -4.802669 0.437854 0.538233
H -4.128240 2.057631 0.195609
H -0.426020 0.084255 -2.637216
H 0.020878 -1.159126 -1.439746
H -1.688933 -0.645354 -1.618793
H 1.591125 0.579733 -2.144013
H -3.123558 3.425764 1.648725
H -2.010993 3.249715 3.026290
H -3.032010 1.877593 2.545118
H 3.020687 2.581839 1.301255
H 2.879952 3.238471 -0.338782
H 2.264691 4.179335 1.073331
H -3.712062 -3.218757 0.067796
H 0.016349 -1.691363 1.745259
H -2.454631 -5.191022 -0.906952
H 1.260781 -3.620476 0.748921
H 4.450555 0.420553 1.849855
H 5.235141 -0.213135 -2.377860
H 0.025739 -5.380202 -0.562433
H 6.832045 1.230540 2.172606
H 7.611113 0.602864 -2.064289
H 8.393335 1.320165 0.209606
H -6.660522 2.456226 -3.326000
H -5.116690 1.765657 -3.990452
H -6.405127 0.659204 -3.399286


