%chk=000237348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237348

0 1
S 0.012816 0.012143 2.142779
S -4.667280 1.972101 -1.564468
S 4.631339 -1.625956 -1.793859
O 0.436704 1.204706 2.850145
O -0.392211 -1.183334 2.856664
O -3.531890 -2.293704 -0.864713
O 3.716704 2.264287 -0.981659
O -4.889152 -0.840423 -1.701470
O 4.800810 0.604774 -1.876076
N -3.911578 -1.148010 -1.026487
N 3.926546 1.077192 -1.148384
C -1.292665 0.480651 1.085429
C 1.279896 -0.450695 1.041286
C -2.082926 -0.473178 0.469971
C 2.067101 0.512696 0.426033
C -1.566983 1.849340 0.898926
C 1.526984 -1.818991 0.818391
C -3.144343 -0.078246 -0.381261
C 3.085265 0.101480 -0.453777
C -2.612108 2.249074 0.077605
C 2.539997 -2.230773 -0.043090
C -3.413678 1.289032 -0.572209
C 3.327529 -1.267517 -0.688163
H -1.910688 -1.550227 0.631716
H 1.923063 1.587844 0.612260
H -0.954529 2.602502 1.417732
H 0.916289 -2.570817 1.341329
H -2.817072 3.316274 -0.057841
H 2.717035 -3.295135 -0.203108
H -5.330165 0.867107 -2.017920
H 4.533889 -2.971797 -1.756480


%chk=000237348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237348

0 1
S 0.006604 -0.010492 2.064351
S -4.932480 1.980815 -1.677843
S 4.962880 -1.752637 -1.814404
O 0.471957 1.345982 2.848381
O -0.450629 -1.398206 2.799075
O -4.060172 -2.356913 -0.321808
O 4.039601 2.406700 -0.413264
O -5.384931 -0.891287 -1.430634
O 5.296138 0.872483 -1.542949
N -4.327692 -1.157213 -0.692994
N 4.292689 1.200182 -0.792170
C -1.423516 0.505402 0.933298
C 1.423237 -0.485940 0.898921
C -2.328368 -0.465754 0.527374
C 2.308952 0.503418 0.481801
C -1.563104 1.872719 0.612175
C 1.577319 -1.843577 0.560055
C -3.424319 -0.066964 -0.285351
C 3.385562 0.119748 -0.352972
C -2.651021 2.254351 -0.182380
C 2.656692 -2.204298 -0.261654
C -3.608188 1.306794 -0.662375
C 3.585486 -1.237574 -0.747809
H -2.233649 -1.511642 0.835475
H 2.216308 1.548633 0.793715
H -0.852284 2.608368 1.002892
H 0.884268 -2.593150 0.956330
H -2.787316 3.307401 -0.446698
H 2.788315 -3.258029 -0.529673
H -5.514207 0.688210 -1.811767
H 4.570567 -3.095127 -1.807797


