%chk=000185224.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185224

0 1
S -4.703282 0.258378 -0.670484
O -2.896792 -0.870034 0.902704
N -2.262771 1.139780 -0.023815
C 0.109956 0.509827 -0.525099
C 1.535519 0.489713 0.036361
C -0.876628 1.067209 0.513450
C 2.529753 -0.088158 -0.983278
C 3.925690 -0.089945 -0.420836
C -2.575106 2.220599 -0.983892
C -3.121663 0.080412 0.185236
C 4.374635 -1.173736 0.349976
C 4.784945 0.994412 -0.655641
C -5.610848 -1.250362 -0.079055
C 5.669285 -1.172190 0.875092
C 6.079102 0.990697 -0.128260
C -5.065385 -2.460230 -0.806332
C -7.067923 -0.956925 -0.374463
C 6.524628 -0.091396 0.637189
H 0.071752 1.110122 -1.453785
H -0.199636 -0.514242 -0.817893
H 1.570653 -0.110462 0.968002
H 1.851049 1.511752 0.324288
H -0.572815 2.082483 0.848466
H -0.887390 0.414692 1.421194
H 2.226819 -1.117216 -1.266511
H 2.490717 0.494651 -1.925536
H -1.762179 2.964413 -1.010193
H -3.498035 2.751491 -0.681346
H -2.712222 1.834493 -2.010110
H -5.427603 -1.341316 1.020289
H 3.713252 -2.016570 0.540419
H 4.444607 1.840351 -1.248527
H 6.012816 -2.015807 1.471551
H 6.742181 1.833763 -0.314657
H -5.616174 -3.369726 -0.531731
H -5.122854 -2.364369 -1.897514
H -4.009160 -2.637504 -0.545118
H -7.264101 -0.818667 -1.446425
H -7.425847 -0.056262 0.143355
H -7.704935 -1.789525 -0.043118
H 7.532287 -0.092796 1.046048


%chk=000185224-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185224

0 1
S -4.832382 0.322528 -0.741012
O -2.867366 -0.833191 0.824853
N -2.288138 1.205050 -0.166892
C 0.124466 0.603797 -0.636026
C 1.544005 0.544809 -0.030826
C -0.911511 1.132981 0.382512
C 2.598238 -0.005129 -1.031759
C 3.991487 -0.083612 -0.424193
C -2.623194 2.313422 -1.077676
C -3.149671 0.157091 0.092843
C 4.361469 -1.183436 0.393755
C 4.936740 0.955580 -0.622232
C -5.606194 -1.305257 -0.080891
C 5.636626 -1.243267 0.998755
C 6.214340 0.901517 -0.018926
C -5.144276 -2.497326 -0.933683
C -7.132075 -1.114631 -0.064250
C 6.568704 -0.198694 0.795414
H 0.132900 1.248386 -1.538840
H -0.185486 -0.407765 -0.963371
H 1.537048 -0.096106 0.873579
H 1.857257 1.554690 0.303894
H -0.625334 2.145778 0.728621
H -0.942503 0.464955 1.259989
H 2.270906 -1.009249 -1.367145
H 2.610549 0.644400 -1.928970
H -1.931600 3.150483 -0.883442
H -3.652481 2.668981 -0.896380
H -2.537255 2.023902 -2.142584
H -5.199159 -1.395526 0.940767
H 3.645709 -2.000336 0.552076
H 4.670781 1.810268 -1.257336
H 5.905261 -2.102877 1.623555
H 6.932630 1.712300 -0.187050
H -5.585935 -3.433145 -0.537928
H -5.463293 -2.382245 -1.985351
H -4.046749 -2.596939 -0.900452
H -7.529675 -0.948388 -1.082374
H -7.427782 -0.260198 0.568774
H -7.610116 -2.027632 0.338559
H 7.559362 -0.244169 1.261645


