%chk=000249752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249752

0 1
S 0.779641 -2.524591 -0.077718
O 1.453643 -3.564300 0.659446
O 0.180183 -2.758440 -1.362635
O -5.074441 1.665080 -1.309560
O 5.380222 2.259037 0.309687
O 4.105483 3.126010 -1.211648
O -5.607449 1.934174 0.843727
N -0.434924 -1.988188 1.034627
N 4.406178 2.249988 -0.421251
C 1.823445 -1.134929 -0.183710
C -1.556995 -1.182800 0.741717
C 2.969596 -1.082627 0.615141
C 1.520157 -0.096466 -1.067326
C -2.309150 -0.664226 1.825420
C -1.920211 -0.869933 -0.585079
C 3.821474 0.023608 0.542829
C 2.362230 1.017722 -1.150574
C 3.502567 1.062668 -0.340117
C -3.733326 0.511457 0.252602
C -3.385459 0.175807 1.575710
C -3.001658 -0.027129 -0.819636
C -4.871296 1.412684 0.035137
H -0.391633 -2.347939 2.001732
H 3.213098 -1.911018 1.294435
H 0.629672 -0.146002 -1.706464
H -2.048037 -0.917691 2.850405
H -1.408559 -1.327286 -1.438273
H 4.725085 0.083302 1.161273
H 2.140120 1.843756 -1.837056
H -3.972499 0.587213 2.404316
H -3.295366 0.218888 -1.846302
H -5.847592 2.272173 -1.461357


%chk=000249752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249752

0 1
S 0.793361 -2.620393 -0.124541
O 1.550622 -3.738808 0.775443
O 0.234014 -2.902581 -1.619289
O -5.196596 1.766684 -1.221045
O 5.340604 2.425794 0.494791
O 4.266651 3.121032 -1.395252
O -5.611987 1.979395 1.055600
N -0.550749 -2.113212 0.981154
N 4.445247 2.293839 -0.423121
C 1.908872 -1.088300 -0.223634
C -1.617916 -1.234572 0.709849
C 2.892887 -0.946194 0.769377
C 1.723812 -0.191951 -1.288960
C -2.330988 -0.698577 1.823624
C -2.005108 -0.877912 -0.612744
C 3.737897 0.179895 0.701108
C 2.568040 0.936430 -1.351910
C 3.552297 1.100792 -0.353867
C -3.788736 0.545666 0.295631
C -3.410134 0.171748 1.612198
C -3.075316 0.012382 -0.808139
C -4.928751 1.476437 0.128950
H -0.468683 -2.600727 1.879298
H 3.009011 -1.703519 1.550929
H 0.966840 -0.381319 -2.055346
H -2.029791 -0.964254 2.843331
H -1.506502 -1.337385 -1.470929
H 4.527917 0.352525 1.436107
H 2.479694 1.675659 -2.151826
H -3.968388 0.587143 2.457567
H -3.383039 0.285086 -1.821381
H -5.970881 2.389199 -1.263475


