%chk=000254849.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254849

0 1
S 4.437353 0.102173 -0.236741
O -1.875878 2.667713 0.392379
O -5.294166 0.871398 -1.030347
O 4.947970 -0.962127 -1.074252
O 4.749141 1.489746 -0.504332
N -1.461682 -0.525046 0.282334
N -2.020349 -1.698586 0.753558
N -3.306927 -1.593721 0.759325
N 5.024578 -0.216701 1.345625
C -2.501486 0.378719 -0.025862
C -0.032260 -0.358731 0.161723
C -3.677770 -0.319919 0.284318
C 2.722387 -0.074770 -0.080655
C 0.553277 0.892774 0.403266
C 0.747740 -1.474424 -0.192959
C -2.359482 1.748278 -0.593861
C 1.937393 1.026303 0.272840
C 2.129524 -1.320564 -0.311556
C -5.096839 0.115332 0.172912
H -0.057226 1.758269 0.699603
H 0.281952 -2.448701 -0.363041
H -1.589797 1.805583 -1.392364
H -3.340138 2.102423 -0.990861
H 2.401790 2.006020 0.443807
H 2.746436 -2.181479 -0.599762
H -5.796805 -0.743887 0.201281
H -5.367423 0.839527 0.970613
H 5.565562 -1.064953 1.499241
H 5.447459 0.547803 1.867638
H -2.541638 2.785050 1.106526
H -5.238899 0.282600 -1.814196


%chk=000254849-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254849

0 1
S 4.553140 0.042151 -0.221961
O -1.915436 2.788477 0.584016
O -5.455256 0.679641 -1.217873
O 5.070630 -1.226405 -1.103714
O 4.893585 1.593800 -0.582107
N -1.489811 -0.467885 0.232233
N -2.017976 -1.749344 0.588749
N -3.353630 -1.623638 0.573811
N 5.149222 -0.231808 1.496313
C -2.526251 0.434966 0.009344
C -0.067656 -0.321969 0.137705
C -3.697958 -0.313604 0.229419
C 2.685808 -0.108424 -0.056937
C 0.547166 0.937897 0.349065
C 0.702188 -1.474784 -0.165080
C -2.404650 1.857445 -0.461115
C 1.949268 1.047316 0.239705
C 2.102403 -1.369654 -0.260481
C -5.134327 0.117012 0.112299
H -0.055446 1.813076 0.618981
H 0.197858 -2.431908 -0.315831
H -1.658654 1.951877 -1.267237
H -3.388026 2.176032 -0.851066
H 2.452264 2.009989 0.373481
H 2.723101 -2.233859 -0.516318
H -5.781631 -0.744942 0.363443
H -5.371829 0.943283 0.803091
H 5.732061 -1.085196 1.503520
H 5.657677 0.615955 1.797793
H -2.587424 2.849722 1.308733
H -5.376616 -0.039117 -1.895783


