%chk=000247246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247246

0 1
S -3.039637 1.640428 -0.931714
O 6.115695 0.359272 -0.284545
O -1.688473 -4.282613 -0.937702
O -4.011817 2.705359 -1.013005
O -3.240080 0.460150 -1.753005
N 3.459888 -0.095193 0.675880
N 0.072342 -2.257447 -1.925994
N 1.795438 -1.221749 -0.610309
N -0.214793 0.002214 -1.253051
N 1.611553 1.182187 -0.141956
N -0.468678 2.275443 -0.621131
N -1.545222 2.396590 -1.524737
C 4.182530 1.175043 0.977208
C 4.402836 -1.229120 0.449952
C 0.580735 -3.613791 -1.575673
C -1.365427 -2.281891 -2.332256
C 5.221216 1.478671 -0.113701
C 5.436346 -0.865973 -0.628360
C -0.314908 -4.256227 -0.503351
C -2.219276 -2.981757 -1.267789
C 2.281232 -0.039533 -0.073222
C 0.550586 -1.157032 -1.216859
C 0.357489 1.121399 -0.699748
C -2.790965 1.209457 0.710533
C -2.934423 2.177274 1.713262
C -2.464927 -0.106330 1.058197
C -2.416172 0.514984 3.402573
C -2.748082 1.835726 3.052114
C -2.277971 -0.455971 2.394599
C -2.198031 0.146871 4.831441
H 3.465101 2.020835 1.091914
H 4.681262 1.036922 1.963980
H 4.907935 -1.429158 1.422814
H 3.848411 -2.155486 0.174691
H 1.640126 -3.564349 -1.236526
H 0.564758 -4.220149 -2.510739
H -1.760378 -1.243968 -2.512145
H -1.418617 -2.819316 -3.304974
H 5.913408 2.288506 0.179050
H 4.747878 1.717302 -1.082288
H 4.974596 -0.758609 -1.625672
H 6.269094 -1.590640 -0.672871
H -0.248896 -3.725089 0.462051
H -0.093407 -5.329329 -0.361107
H -2.298997 -2.370379 -0.344345
H -3.230954 -3.228408 -1.640256
H 0.037236 3.173521 -0.521946
H -1.299374 2.124120 -2.501226
H -3.202310 3.206399 1.447688
H -2.357685 -0.875780 0.274138
H -2.859901 2.593542 3.825118
H -2.023530 -1.480649 2.657679
H -2.531243 -0.876261 5.056296
H -2.724982 0.814498 5.527220
H -1.127135 0.198787 5.085605


%chk=000247246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247246

0 1
S -3.486658 1.385659 -0.814810
O 6.071595 0.308769 0.812403
O -1.558716 -4.772427 -1.914647
O -4.711651 2.467718 -0.721438
O -3.780122 -0.139929 -1.374178
N 3.242543 0.011925 0.453468
N -0.061859 -2.322565 -1.981410
N 1.629948 -1.197789 -0.767553
N -0.302741 -0.010890 -1.644769
N 1.342034 1.186926 -0.298168
N -0.584208 2.247045 -1.156516
N -1.725617 2.327612 -1.901430
C 3.778783 1.232050 1.091890
C 4.094458 -1.185964 0.597035
C 0.641455 -3.616597 -1.864634
C -1.388630 -2.391021 -2.642024
C 5.213802 1.486426 0.588318
C 5.520541 -0.861602 0.107109
C -0.286078 -4.648432 -1.189339
C -2.248702 -3.468262 -1.953148
C 2.047381 -0.007390 -0.223906
C 0.440796 -1.161971 -1.456884
C 0.198454 1.078627 -1.018690
C -2.805108 1.208726 0.948112
C -2.982729 2.282952 1.836001
C -2.194929 0.001334 1.325048
C -1.882643 0.935856 3.586798
C -2.515463 2.133847 3.161276
C -1.739356 -0.127070 2.655067
C -1.364859 0.794087 5.006717
H 3.111376 2.074132 0.852841
H 3.797065 1.084482 2.190628
H 4.130841 -1.477649 1.666112
H 3.644156 -2.005159 0.015531
H 1.563289 -3.463312 -1.282456
H 0.904981 -3.971971 -2.880742
H -1.886176 -1.411889 -2.564679
H -1.242510 -2.652395 -3.708443
H 5.688727 2.306839 1.150416
H 5.195500 1.738359 -0.493993
H 5.508049 -0.670315 -0.987661
H 6.211454 -1.691018 0.329389
H -0.477950 -4.348085 -0.135707
H 0.166443 -5.653538 -1.208766
H -2.502603 -3.143330 -0.921403
H -3.179456 -3.638642 -2.515826
H -0.331016 3.065700 -0.598585
H -1.695073 1.494342 -2.544567
H -3.507763 3.186349 1.507619
H -2.112407 -0.819611 0.605014
H -2.654208 2.954097 3.875276
H -1.271992 -1.065759 2.975451
H -1.465950 -0.242504 5.373181
H -1.904136 1.458112 5.703901
H -0.290960 1.058417 5.063569


