%chk=000212565.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212565

0 1
S 2.577201 -0.058751 -0.580339
O -0.082338 0.302351 0.254433
O -5.276401 -0.053640 -1.569807
O 2.305909 -1.439205 -0.081778
O -2.263455 -2.588514 1.703295
O -6.954863 0.286264 0.004842
N -0.305248 -2.463715 0.563481
C 2.038337 1.100591 0.739192
C 0.646247 1.563124 0.374891
C -1.393352 0.335504 -0.172628
C -2.114248 -0.854998 0.076752
C 4.336194 0.194291 -0.405519
C -1.975740 1.426846 -0.830904
C -3.430717 -0.945470 -0.375683
C -4.004239 0.145164 -1.051716
C -3.295062 1.329372 -1.280651
C 4.904932 1.354997 -0.930492
C 5.123121 -0.798412 0.174223
C -1.575664 -2.012498 0.868960
C 6.291226 1.527033 -0.862001
C 6.510590 -0.623323 0.241027
C 7.091935 0.538747 -0.275433
C -6.327646 0.833342 -1.132991
C -6.290224 0.492575 1.268756
H 2.734243 1.947365 0.849825
H 2.035063 0.574225 1.716867
H 0.168155 2.157675 1.175324
H 0.599577 2.109159 -0.584278
H -1.414401 2.338152 -1.012491
H -4.021869 -1.851839 -0.201006
H -3.757270 2.156207 -1.815627
H 4.289870 2.123627 -1.396284
H 4.657431 -1.709206 0.568407
H 6.749274 2.427509 -1.267704
H 7.134326 -1.393562 0.693062
H 8.171985 0.675642 -0.224585
H -7.086314 0.706659 -1.930173
H -5.959937 1.854739 -0.975568
H 0.102987 -3.192981 1.131825
H 0.374021 -1.910471 0.036156
H -5.344224 -0.058702 1.290708
H -7.001135 0.055485 1.982051
H -6.143278 1.556940 1.462681


%chk=000212565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212565

0 1
S 2.885399 -0.121625 -0.976195
O -0.057662 0.292243 -0.142516
O -5.613908 -0.008480 -1.120845
O 2.498196 -1.514027 -0.124799
O -2.343713 -3.203392 0.705572
O -7.423299 0.592341 0.346881
N -0.193149 -2.407034 0.427444
C 2.099694 1.307061 0.102857
C 0.662179 1.554286 -0.322616
C -1.449204 0.272654 -0.394908
C -2.141755 -0.952737 -0.155790
C 4.690098 0.211478 -0.452750
C -2.145737 1.411372 -0.864336
C -3.535510 -0.980070 -0.390827
C -4.234339 0.152010 -0.855385
C -3.535028 1.354626 -1.106344
C 5.427182 1.256656 -1.040348
C 5.235538 -0.676983 0.486521
C -1.554441 -2.259501 0.361062
C 6.774167 1.429495 -0.640505
C 6.582733 -0.492838 0.876480
C 7.347302 0.558069 0.316526
C -6.551543 1.050228 -0.691019
C -6.731126 0.293200 1.611084
H 2.725355 2.201394 -0.048930
H 2.183864 0.923742 1.132427
H 0.217284 2.344713 0.318726
H 0.602373 1.885692 -1.380630
H -1.619809 2.348846 -1.066284
H -4.061407 -1.919043 -0.191444
H -4.048739 2.230700 -1.515972
H 4.984091 1.916574 -1.795918
H 4.604826 -1.486043 0.876656
H 7.372438 2.234296 -1.080977
H 7.033841 -1.170522 1.609103
H 8.391738 0.693363 0.618046
H -7.210404 1.266461 -1.544976
H -5.970485 1.942924 -0.366739
H 0.141117 -3.315934 0.749710
H 0.514514 -1.711416 0.155345
H -6.066453 -0.582183 1.499017
H -7.523631 0.069581 2.340478
H -6.137589 1.166121 1.956214


