%chk=000295820.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295820

0 1
S 4.192149 1.003134 -0.825686
O -3.238103 0.789499 0.179234
O -2.425577 -1.200346 -0.536164
N 2.055030 -0.591183 -0.446411
N 1.930433 1.711891 0.322811
N 0.299028 -2.117251 -0.091789
C -1.310044 0.012030 1.274586
C 0.041681 0.225088 0.680602
C 0.775115 -0.818700 0.032467
C -2.344951 -0.241130 0.203585
C 0.674909 1.475453 0.782901
C -4.342472 0.736458 -0.785723
C 2.568187 0.651395 -0.263139
C -5.409706 -0.215639 -0.292377
C 4.758882 -0.556461 -1.524007
H -1.295102 -0.859040 1.972374
H -1.613805 0.883717 1.900347
H 0.170221 2.331181 1.252230
H -4.662415 1.794888 -0.785135
H -3.931769 0.447841 -1.769445
H -6.311369 -0.163529 -0.915145
H -5.056342 -1.257766 -0.313876
H -5.706168 0.006642 0.740879
H -0.711500 -2.255076 -0.154817
H 0.841084 -2.754559 -0.665759
H 4.750982 -1.366008 -0.781298
H 5.786251 -0.411071 -1.880458
H 4.131972 -0.881058 -2.365388


%chk=000295820-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295820

0 1
S 4.312722 1.082272 -0.744158
O -3.241715 0.730367 0.144922
O -2.488824 -1.410613 -0.376319
N 2.110917 -0.537251 -0.461466
N 1.976771 1.739384 0.398015
N 0.317211 -2.035169 -0.312006
C -1.283537 -0.063279 1.306237
C 0.075594 0.211343 0.676636
C 0.826316 -0.788303 -0.037497
C -2.380509 -0.339553 0.282593
C 0.714920 1.456509 0.840039
C -4.351963 0.592931 -0.859295
C 2.614106 0.698380 -0.218055
C -5.576731 -0.061236 -0.216541
C 4.811887 -0.552123 -1.526469
H -1.217229 -0.955918 1.959387
H -1.583277 0.798828 1.923284
H 0.200980 2.273068 1.362413
H -4.545598 1.632736 -1.165369
H -3.976329 0.003030 -1.713135
H -6.413051 -0.069066 -0.939736
H -5.362482 -1.104304 0.070738
H -5.900343 0.499296 0.677194
H -0.697529 -2.196726 -0.285720
H 0.924703 -2.678809 -0.817853
H 4.772425 -1.353892 -0.775974
H 5.841950 -0.402559 -1.887089
H 4.135216 -0.788943 -2.359374


