%chk=000213534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213534

0 1
S -0.866174 -1.441748 -0.625020
O 0.014379 1.405891 -2.058630
O -0.295070 -1.210721 -1.938953
O -1.562897 -2.688591 -0.381943
N 0.419089 -1.361907 0.528785
C 0.074850 1.531130 -0.643024
C -1.287825 1.166580 -0.057580
C 1.314769 0.879570 -0.066271
C -1.825513 -0.122331 -0.100755
C 1.489626 -0.431456 0.438595
C -2.063538 2.209328 0.478755
C -3.128474 -0.368530 0.354258
C 2.439671 1.732714 -0.093357
C 2.769843 -0.826142 0.909289
C 0.584575 -2.553950 1.400509
C -3.357721 1.962723 0.939328
C -3.899129 0.672415 0.870193
C 3.688068 1.342587 0.376256
C 3.848024 0.047645 0.883240
H 0.190136 2.652021 -0.545212
H -1.659178 3.220836 0.526041
H -3.540551 -1.384430 0.309151
H 2.324477 2.739643 -0.505996
H 2.928923 -1.836322 1.281470
H 0.901396 -2.249235 2.413050
H 1.319362 -3.272226 0.996840
H -0.380473 -3.090024 1.503180
H -3.952861 2.779827 1.350976
H -4.913405 0.484145 1.218821
H 4.530141 2.028945 0.342706
H 4.821809 -0.278368 1.249620
H 0.170171 0.461278 -2.375521


%chk=000213534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213534

0 1
S -0.840253 -1.495798 -0.619958
O 0.053245 1.565788 -2.000901
O -0.159604 -1.186214 -2.086048
O -1.660634 -2.885453 -0.398433
N 0.430873 -1.271375 0.868611
C 0.073604 1.578003 -0.518788
C -1.319287 1.213991 0.008764
C 1.353775 0.898996 0.017617
C -1.918460 -0.059198 -0.077441
C 1.533166 -0.419124 0.568372
C -2.159772 2.243980 0.503384
C -3.239731 -0.359901 0.274529
C 2.507239 1.709486 -0.138295
C 2.849090 -0.845838 0.926684
C 0.652784 -2.586042 1.508383
C -3.499089 1.991548 0.878612
C -4.046789 0.694581 0.760673
C 3.798904 1.286768 0.233486
C 3.965084 -0.003961 0.779968
H 0.196958 2.652123 -0.299170
H -1.755408 3.259710 0.580823
H -3.612700 -1.385531 0.186569
H 2.376506 2.702446 -0.583986
H 2.997235 -1.846037 1.340988
H 0.975366 -2.402897 2.548709
H 1.398564 -3.229054 0.999082
H -0.308866 -3.125530 1.530290
H -4.116869 2.811710 1.259142
H -5.085279 0.500004 1.046295
H 4.657039 1.952293 0.096296
H 4.956399 -0.360256 1.080142
H 0.043410 0.602080 -2.295599


