%chk=000226081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226081

0 1
S 4.652185 0.038698 -0.327854
O -3.340325 0.496490 1.047761
O 4.706021 0.324419 -1.991483
O 5.152416 1.229617 0.298884
O 5.338373 -1.219417 -0.177777
O -5.581572 -0.013016 -1.717516
O -4.738378 -1.549280 -0.323381
N -1.903121 -1.778924 0.253663
C 0.174730 -0.425444 0.248052
C 0.761602 0.864993 0.312841
C -1.261162 -0.552859 0.427758
C 2.953876 -0.112536 -0.103835
C 2.176374 0.994938 0.131049
C 1.012757 -1.556453 0.001694
C -1.991649 0.611866 0.687427
C -0.043061 2.023383 0.557069
C 2.367208 -1.406447 -0.170006
C -1.395233 1.897167 0.741536
C -4.277494 0.868442 0.020872
C -4.832292 -0.385418 -0.625737
H 2.619968 1.997057 0.190660
H 0.566205 -2.549517 -0.059426
H 0.438372 2.999214 0.600279
H 3.007435 -2.276381 -0.352940
H -2.031379 2.757082 0.951400
H -1.377915 -2.620044 0.433734
H -2.883881 -1.833879 0.540082
H -5.081070 1.393114 0.582891
H -3.839513 1.553387 -0.729472
H 5.507828 0.034703 -2.449510
H -5.996306 -0.786654 -2.187914


%chk=000226081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226081

0 1
S 4.802082 0.070222 -0.311478
O -3.376981 0.397510 0.981712
O 4.773497 0.141632 -2.172870
O 5.284890 1.508699 0.250757
O 5.579209 -1.282757 0.121321
O -6.028715 0.126882 -1.529858
O -4.703219 -1.524701 -0.571142
N -1.870850 -1.830330 0.414211
C 0.201112 -0.460325 0.275946
C 0.788216 0.868826 0.314785
C -1.232222 -0.607040 0.455966
C 2.960420 -0.133426 -0.090331
C 2.201253 1.006637 0.121212
C 1.054786 -1.591017 0.056507
C -1.991899 0.568772 0.687337
C -0.030306 2.020134 0.542631
C 2.430992 -1.449305 -0.131179
C -1.404613 1.857683 0.736851
C -4.341732 0.869504 -0.001552
C -5.001805 -0.319517 -0.702978
H 2.670441 1.995814 0.155412
H 0.640743 -2.604593 0.035591
H 0.429164 3.012294 0.579993
H 3.088656 -2.309176 -0.283853
H -2.047767 2.718226 0.952175
H -1.366826 -2.687348 0.212931
H -2.895601 -1.852383 0.416684
H -5.128208 1.439197 0.524987
H -3.882447 1.528894 -0.763163
H 5.725364 0.181613 -2.482149
H -6.466634 -0.642319 -1.985655


