%chk=000233158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233158

0 1
S 7.124146 -0.586222 -0.198176
S -7.124178 -0.588627 0.187432
O 1.507462 0.813190 0.671481
O -1.507139 0.824421 -0.657469
O 7.720094 0.280921 -1.196296
O 7.745738 -0.779085 1.097178
O -7.720228 0.261740 1.199824
O -7.745521 -0.759672 -1.111102
N 7.071546 -2.148068 -0.920912
N -7.071924 -2.162373 0.883899
C 5.474860 -0.158725 0.014487
C -5.474794 -0.157839 -0.017690
C 0.690844 1.525380 -0.310180
C -0.690583 1.519804 0.336229
C 2.811741 0.535525 0.361162
C -2.811521 0.541756 -0.352113
C 4.794510 0.531353 -0.993325
C -4.794578 0.515164 1.001683
C 4.813927 -0.495385 1.208709
C -4.813653 -0.474526 -1.217243
C 3.453735 0.888011 -0.835472
C -3.453725 0.874236 0.850118
C 3.481792 -0.155924 1.395699
C -3.481438 -0.132165 -1.398235
H 1.108358 2.537663 -0.441222
H 0.691718 0.967965 -1.269282
H -1.108144 2.529674 0.484573
H -0.691433 0.946034 1.285635
H 5.318020 0.807740 -1.917785
H -5.318254 0.776099 1.930529
H 5.357799 -1.021497 2.003735
H -5.357425 -0.987162 -2.021092
H 2.940596 1.423084 -1.626966
H -2.940702 1.395925 1.650568
H 2.947761 -0.405573 2.310301
H -2.947248 -0.366516 -2.316780
H 7.403750 -2.243651 -1.877879
H 7.404236 -2.939616 -0.374941
H -7.404359 -2.273941 1.839055
H -7.404588 -2.944618 0.324663


%chk=000233158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233158

0 1
S 7.249919 -0.655070 -0.097569
S -7.249971 -0.656262 0.085892
O 1.376479 0.597781 0.560626
O -1.376484 0.607435 -0.550505
O 7.978948 0.660116 -0.728326
O 7.735111 -1.379640 1.278313
O -7.979334 0.648311 0.737932
O -7.735027 -1.358538 -1.301544
N 7.299330 -1.977349 -1.383350
N -7.298900 -1.999759 1.349492
C 5.427915 -0.259452 0.065459
C -5.427980 -0.257697 -0.070462
C 0.735835 1.700286 -0.172844
C -0.735642 1.697275 0.201477
C 2.736982 0.366570 0.341036
C -2.737065 0.372764 -0.335068
C 4.918187 0.824052 -0.662751
C -4.918347 0.813304 0.676071
C 4.646223 -1.041079 0.937103
C -4.646261 -1.024489 -0.955170
C 3.550551 1.144471 -0.523798
C -3.550670 1.135965 0.542748
C 3.285361 -0.720391 1.072394
C -3.285390 -0.701578 -1.084872
H 1.196639 2.664442 0.124691
H 0.850248 1.556783 -1.264957
H -1.196269 2.666387 -0.079766
H -0.850076 1.535386 1.291013
H 5.578967 1.418208 -1.302128
H -5.579225 1.396472 1.325375
H 5.096993 -1.859037 1.507279
H -5.097009 -1.832666 -1.539136
H 3.143449 1.990882 -1.083106
H -3.143516 1.972691 1.116384
H 2.630042 -1.291812 1.735457
H -2.629986 -1.261646 -1.757460
H 7.747115 -1.587293 -2.229713
H 7.819244 -2.776368 -0.982348
H -7.744879 -1.623631 2.203080
H -7.820305 -2.791326 0.935851


