%chk=000247699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247699

0 1
S -1.767483 -1.367993 0.533960
O -1.841593 -1.844714 1.893673
O -1.653297 -2.331100 -0.550824
O 4.807773 -1.585471 -0.298239
N -0.385262 -0.340452 0.438962
C 1.844742 0.482511 0.102702
C 3.209500 0.159118 -0.052650
C 0.810251 -0.596445 0.034071
C 1.476120 1.812430 0.337325
C 3.644675 -1.246055 -0.323001
C -3.051902 -0.266978 0.201914
C 1.265048 -1.911647 -0.504181
C 4.181834 1.159759 0.039569
C 2.555420 -2.212945 -0.655187
C 2.455332 2.811528 0.418801
C 3.804694 2.487983 0.273222
C -3.642672 -0.251055 -1.066449
C -3.506747 0.598096 1.202328
C -4.687893 0.636125 -1.336780
C -4.552129 1.486710 0.932051
C -5.140502 1.505097 -0.337078
H 0.420473 2.069177 0.464626
H 0.467549 -2.627100 -0.776301
H 5.237451 0.891432 -0.070646
H 2.898447 -3.181762 -1.030204
H 2.157044 3.844493 0.600944
H 4.566864 3.264153 0.342445
H -3.292615 -0.939011 -1.845309
H -3.052815 0.577704 2.198918
H -5.150522 0.648873 -2.322733
H -4.908706 2.160300 1.710132
H -5.956780 2.197639 -0.547962


%chk=000247699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247699

0 1
S -1.755361 -1.380289 -0.021750
O -1.743090 -2.202798 1.387762
O -1.720757 -2.186196 -1.440471
O 4.939584 -1.686668 0.026549
N -0.349613 -0.038402 -0.002421
C 1.975194 0.538867 0.019391
C 3.346125 0.143010 0.027442
C 0.897623 -0.499762 0.004390
C 1.647841 1.919133 0.025998
C 3.726026 -1.301526 0.020334
C -3.224148 -0.205561 -0.026412
C 1.303648 -1.922167 -0.001485
C 4.364650 1.127838 0.042113
C 2.620450 -2.289280 0.005683
C 2.668891 2.889792 0.040587
C 4.031068 2.495840 0.048742
C -3.741782 0.191442 -1.269017
C -3.753291 0.187258 1.212684
C -4.863485 1.052827 -1.261286
C -4.874829 1.048754 1.197446
C -5.421677 1.481891 -0.033770
H 0.593099 2.209002 0.019447
H 0.519607 -2.685283 -0.011823
H 5.405951 0.789744 0.048007
H 2.918873 -3.343272 0.000895
H 2.407643 3.953303 0.045734
H 4.821138 3.253866 0.060106
H -3.298869 -0.175300 -2.200472
H -3.319531 -0.182693 2.147150
H -5.298673 1.383201 -2.209964
H -5.318754 1.375875 2.143191
H -6.291252 2.147953 -0.036683


