%chk=000295801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295801

0 1
I -6.068236 2.655146 0.402708
S -1.054685 -4.328076 0.371972
O 4.337866 0.829887 -0.115941
O 2.323810 1.843963 0.113722
N -0.185547 0.579368 -0.603640
N -0.539429 -1.745652 -0.177658
N 1.267029 -3.354810 -0.410486
C 1.662417 -1.012786 -0.932743
C 2.602354 0.010761 -1.476854
C 0.305618 -0.726443 -0.566322
C -1.536864 0.971915 -0.334391
C 2.084096 -2.349242 -0.814234
C 3.020321 0.998907 -0.412898
C -1.729309 2.231680 0.273739
C -2.642965 0.199696 -0.731762
C -0.023096 -3.000814 -0.123661
C -3.023938 2.708078 0.480407
C -3.934250 0.685745 -0.516493
C 4.946629 1.706411 0.893760
C -4.112162 1.930845 0.084368
C 5.222658 3.066377 0.292475
C -2.645322 -3.552113 0.698069
H 3.504348 -0.473854 -1.920508
H 2.129631 0.567776 -2.320489
H 0.520008 1.340181 -0.528218
H 3.116812 -2.640611 -1.053434
H -0.876250 2.831743 0.590761
H -2.500036 -0.775988 -1.199792
H -3.172473 3.681604 0.952775
H -4.793123 0.085851 -0.825084
H 4.272181 1.751245 1.767169
H 5.863052 1.134034 1.129345
H 5.810475 3.693344 0.974875
H 5.780340 2.989320 -0.649942
H 4.288107 3.606129 0.076290
H -2.554977 -2.682501 1.366637
H -3.290707 -4.297680 1.180212
H -3.128585 -3.204138 -0.223332


%chk=000295801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295801

0 1
I -5.971806 3.042737 0.479291
S -1.052536 -4.600255 0.113637
O 4.294676 0.918253 -0.048616
O 2.191458 1.911221 0.030352
N -0.196772 0.438464 -0.453891
N -0.548676 -1.917773 -0.247961
N 1.287923 -3.490747 -0.550927
C 1.649771 -1.093180 -0.928622
C 2.576792 -0.008849 -1.466824
C 0.277831 -0.860854 -0.538539
C -1.506490 0.932429 -0.226092
C 2.082360 -2.432775 -0.892453
C 2.979611 1.036748 -0.431430
C -1.626365 2.340552 -0.049671
C -2.679586 0.132152 -0.189941
C -0.007234 -3.163037 -0.269716
C -2.884233 2.940385 0.151111
C -3.941327 0.734496 0.006895
C 4.802688 1.888445 0.985383
C -4.041964 2.131364 0.176117
C 5.309396 3.166093 0.314492
C -2.708964 -3.772747 0.429331
H 3.489331 -0.478114 -1.867192
H 2.074580 0.531999 -2.293842
H 0.541125 1.164893 -0.421786
H 3.115292 -2.682847 -1.163649
H -0.728741 2.970285 -0.067484
H -2.589190 -0.947797 -0.302683
H -2.954163 4.023214 0.285786
H -4.837100 0.106697 0.029049
H 3.983734 2.095642 1.695389
H 5.609333 1.326140 1.480429
H 5.761728 3.826340 1.077144
H 6.079517 2.937324 -0.441776
H 4.483232 3.715562 -0.166940
H -2.599459 -3.000077 1.203398
H -3.376991 -4.577194 0.774881
H -3.092983 -3.329892 -0.501250


