%chk=000257468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257468

0 1
S 1.590314 0.590474 -0.057947
O 1.856979 -0.175238 -1.257006
O 2.215255 1.881351 0.156359
O -4.594635 -0.888693 -0.096755
O -2.980761 -2.389936 -0.477717
N 1.989550 -0.377975 1.310376
C -0.126683 0.792643 0.114343
C -0.989879 -0.277426 -0.117039
C -0.635410 2.044628 0.479878
C -2.376049 -0.092516 0.027102
C 2.617688 -1.700599 1.047929
C -2.014731 2.230375 0.618042
C -2.887940 1.164189 0.393318
C 4.103884 -1.603946 0.802712
C -3.266150 -1.244732 -0.212611
C 4.619036 -1.403653 -0.407668
H 2.466526 0.111189 2.082260
H -0.607392 -1.263227 -0.415677
H 0.051021 2.885402 0.653989
H 2.411206 -2.350676 1.931047
H 2.107494 -2.188487 0.181571
H -2.407586 3.207640 0.899639
H -3.970560 1.295566 0.498377
H 4.727223 -1.708283 1.689532
H 5.680083 -1.331744 -0.600844
H 4.009055 -1.283313 -1.302056
H -5.204037 -1.660011 -0.259154


%chk=000257468-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257468

0 1
S 1.531480 0.394285 -0.172502
O 1.669295 -0.616053 -1.443659
O 2.270747 1.848557 -0.116450
O -4.900316 -0.711415 -0.085653
O -3.284715 -2.256731 -0.720763
N 1.962116 -0.633895 1.371801
C -0.310275 0.712604 0.114183
C -1.221388 -0.304995 -0.186268
C -0.680049 1.983968 0.582675
C -2.598697 -0.028698 0.009360
C 2.889636 -1.766702 1.032985
C -2.058461 2.241669 0.770314
C -3.012782 1.241194 0.489661
C 4.345345 -1.376964 0.870411
C -3.574173 -1.110624 -0.306239
C 5.016894 -1.431689 -0.306469
H 2.417010 0.065770 1.996306
H -0.904076 -1.278382 -0.574292
H 0.085745 2.744722 0.767848
H 2.752803 -2.490575 1.860921
H 2.503894 -2.235830 0.110523
H -2.381928 3.222930 1.130939
H -4.080285 1.430698 0.630093
H 4.860240 -1.022440 1.777167
H 6.067312 -1.128637 -0.381080
H 4.525454 -1.763425 -1.228615
H -5.507324 -1.466341 -0.311195


