%chk=000229169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229169

0 1
S -0.000743 0.084775 0.010353
O -5.784902 0.453239 1.485126
O 5.782996 0.310133 -1.487995
N -5.609555 -0.414134 -0.602212
N 5.607605 -0.378707 0.664869
N -6.733167 -1.270081 -0.464294
N 6.728520 -1.246616 0.598153
C -2.658319 0.375427 0.203265
C 2.657762 0.350156 -0.204953
C -1.416897 1.234627 -0.002516
C 1.419154 1.227259 -0.069941
C -3.927525 1.235871 0.136281
C 3.929829 1.209035 -0.207471
C -5.163107 0.414832 0.436478
C 5.162491 0.361817 -0.439162
H -2.612564 -0.140430 1.188461
H -2.706081 -0.431220 -0.558338
H 2.610408 -0.243705 -1.145119
H 2.702863 -0.392261 0.619545
H -1.451295 1.780135 -0.963019
H -1.308321 1.986626 0.800327
H 1.312984 1.911868 -0.931273
H 1.455354 1.848911 0.843055
H -4.012922 1.741926 -0.845577
H -3.874874 2.054969 0.889388
H 4.016533 1.793077 0.729952
H 3.880231 1.964223 -1.024822
H -5.115295 -0.556538 -1.481937
H 5.114177 -0.445078 1.554029
H -6.634515 -1.839858 0.389690
H -7.576872 -0.697348 -0.311727
H 6.626578 -1.886482 -0.204245
H 7.573571 -0.691446 0.396128


%chk=000229169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229169

0 1
S -0.001552 -0.504878 0.048255
O -5.460766 -0.497009 1.345603
O 5.458700 -0.626753 -1.265521
N -6.313671 0.420733 -0.608745
N 6.313464 0.449487 0.605281
N -7.604888 -0.157119 -0.471461
N 7.602364 -0.143079 0.518163
C -2.770424 -0.020796 0.097145
C 2.768615 -0.038144 -0.063054
C -1.435583 0.733559 -0.014339
C 1.436387 0.728311 -0.025590
C -3.979174 0.944893 0.001117
C 3.980722 0.927756 -0.049219
C -5.293137 0.224463 0.317585
C 5.292695 0.179315 -0.302065
H -2.827953 -0.557262 1.061318
H -2.838552 -0.782407 -0.703332
H 2.826952 -0.660329 -0.974163
H 2.830539 -0.724140 0.803677
H -1.363934 1.289128 -0.967653
H -1.313368 1.442670 0.825253
H 1.312508 1.345878 -0.934369
H 1.371253 1.380934 0.864607
H -4.016166 1.426371 -0.995997
H -3.857805 1.751995 0.750698
H 4.018323 1.492830 0.902916
H 3.863586 1.668517 -0.865194
H -6.176058 0.994760 -1.441786
H 6.176131 1.087775 1.390218
H -7.536147 -1.185231 -0.469125
H -8.049699 0.168114 0.399057
H 7.528457 -1.168053 0.593865
H 8.052283 0.112713 -0.372646


