%chk=000240891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240891

0 1
S 2.443917 0.469085 -0.684123
O 3.841791 0.696832 2.517446
O 2.005122 0.070377 3.477088
N -2.584206 -0.416721 -0.358988
N -0.483170 -1.348761 -0.222583
N -1.931335 1.904165 -1.004718
N 2.486186 -2.269108 -0.246977
N 0.536367 2.147609 -1.160385
N 2.841660 -2.445634 1.990863
N -0.926508 3.912294 -1.756107
N 2.872357 -0.028046 2.634430
C -4.047167 -0.285575 -0.216291
C -4.443859 -0.122701 1.258687
C -1.683225 0.606216 -0.657605
C -5.967468 -0.022003 1.405727
C -0.360106 0.008586 -0.564612
C -1.792557 -1.579968 -0.086104
C 0.727003 0.869621 -0.801895
C -6.374972 0.137104 2.867857
C 2.516411 -0.969099 0.255086
C -0.784283 2.620007 -1.280911
C 2.737267 -1.110131 1.638155
C 2.679672 -3.142277 0.832784
C 2.204819 -2.649450 -1.632875
H -4.382247 0.601638 -0.809200
H -4.531705 -1.182161 -0.664325
H -3.961415 0.783406 1.681159
H -4.057615 -0.967947 1.861238
H -6.348388 0.837563 0.818216
H -6.452645 -0.922370 0.979816
H -2.248591 -2.522069 0.187388
H -7.463903 0.213263 2.969729
H -6.048463 -0.713928 3.477138
H -5.942199 1.040975 3.313789
H 2.701886 -4.219872 0.751229
H 1.114756 -2.568182 -1.839178
H 2.732001 -1.986501 -2.345872
H 2.519650 -3.687873 -1.830811
H -1.826424 4.363320 -1.671462
H -0.112318 4.512217 -1.773703


%chk=000240891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240891

0 1
S 2.471657 0.361046 -0.999782
O 1.835624 1.111825 2.015619
O 2.739538 -0.140285 3.706622
N -2.552660 -0.486800 -0.433616
N -0.455268 -1.428967 -0.539564
N -1.960403 1.878845 -0.820958
N 2.622638 -2.349751 -0.259453
N 0.464683 2.182261 -1.122683
N 2.623178 -2.399873 2.013851
N -1.018930 3.982544 -1.296346
N 2.351164 0.015874 2.488878
C -4.006692 -0.358619 -0.221000
C -4.369183 -0.075834 1.254452
C -1.665721 0.567758 -0.655020
C -5.894769 0.066507 1.454577
C -0.363238 -0.032013 -0.707841
C -1.770057 -1.652811 -0.373046
C 0.699029 0.875316 -0.923725
C -6.270145 0.345477 2.925785
C 2.474798 -1.022768 0.155745
C -0.843801 2.637900 -1.075941
C 2.489851 -1.093228 1.564882
C 2.693766 -3.134517 0.888374
C 2.510957 -2.839174 -1.640367
H -4.360747 0.468822 -0.862030
H -4.489285 -1.291367 -0.567889
H -3.860772 0.852587 1.577288
H -3.982400 -0.894369 1.893350
H -6.273673 0.888204 0.813450
H -6.402266 -0.858806 1.111945
H -2.217152 -2.631643 -0.211264
H -7.363388 0.449164 3.048907
H -5.931611 -0.475280 3.585241
H -5.798771 1.279153 3.284567
H 2.791684 -4.216805 0.853551
H 1.462880 -2.734948 -1.969844
H 3.166872 -2.260681 -2.309586
H 2.809936 -3.899121 -1.666717
H -1.952191 4.380270 -1.241422
H -0.199035 4.568008 -1.429890


