%chk=000291231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291231

0 1
S -1.814997 -2.041432 -0.005725
O -0.721393 -0.664368 -0.002126
O -1.662458 -2.722777 1.246823
O -1.660379 -2.717941 -1.260639
N 0.556054 -1.171469 -0.002068
C 3.756004 0.491912 0.003677
C 2.864714 1.666325 0.005213
C 2.946435 -0.691805 0.000754
C 1.508740 1.200543 0.003229
C 1.507701 -0.288665 0.000388
C 5.136113 0.394908 0.004597
C 3.139645 3.022117 0.008027
C 3.521356 -1.948973 -0.001201
C 0.450538 2.089607 0.004073
C 5.718222 -0.889774 0.002595
C 2.055735 3.924931 0.008879
C 4.929144 -2.036758 -0.000240
C 0.739865 3.470209 0.006946
C -3.228807 -1.069243 -0.005037
C -3.808649 -0.672048 -1.216861
C -3.810258 -0.676090 1.207349
C -5.541806 0.516550 -0.003929
C -4.958141 0.116127 -1.219563
C -4.959739 0.112067 1.211151
C -6.779260 1.348076 -0.003230
H 5.763495 1.282621 0.006801
H 4.162227 3.390663 0.009554
H 2.905042 -2.848879 -0.003418
H -0.579274 1.731045 0.002556
H 6.804196 -0.978376 0.003294
H 2.259886 4.995245 0.011089
H 5.397483 -3.020438 -0.001752
H -0.082390 4.183900 0.007646
H -3.361974 -0.986689 -2.167955
H -3.364846 -0.993914 2.157973
H -5.405155 0.419463 -2.164883
H -5.408033 0.412263 2.156868
H -6.853129 1.997738 -0.886923
H -7.676913 0.708445 -0.001059
H -6.850395 1.999888 0.879125


%chk=000291231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291231

0 1
S -1.925989 -2.176628 -0.017830
O -0.616313 -0.623354 -0.009777
O -1.792493 -2.966706 1.388643
O -1.795071 -2.949377 -1.434144
N 0.679358 -1.158267 -0.005193
C 3.883613 0.512738 0.006605
C 2.985270 1.689093 0.003182
C 3.076166 -0.668590 0.003655
C 1.626593 1.227291 -0.001546
C 1.649094 -0.254825 -0.001445
C 5.287918 0.409674 0.011828
C 3.263977 3.068192 0.003836
C 3.655436 -1.949597 0.005860
C 0.550768 2.136890 -0.005539
C 5.875116 -0.880377 0.014076
C 2.180792 3.983531 -0.000216
C 5.068812 -2.047095 0.011132
C 0.840343 3.524711 -0.004852
C -3.441917 -1.082692 -0.009901
C -3.980733 -0.689597 -1.246045
C -3.980237 -0.706733 1.231801
C -5.727572 0.528493 0.001702
C -5.135675 0.121338 -1.224242
C -5.135218 0.104313 1.221678
C -6.986969 1.373656 0.007868
H 5.920982 1.303876 0.014104
H 4.295825 3.435965 0.007364
H 3.025257 -2.844125 0.003630
H -0.481197 1.776303 -0.009116
H 6.966363 -0.979254 0.018128
H 2.381748 5.060776 0.000223
H 5.545417 -3.033361 0.012979
H 0.020091 4.250810 -0.007930
H -3.523967 -1.016511 -2.185367
H -3.523006 -1.046533 2.166316
H -5.580855 0.442649 -2.172503
H -5.580062 0.412411 2.174476
H -7.046743 2.020979 -0.883801
H -7.888089 0.730260 0.007954
H -7.042232 2.014678 0.904404


