%chk=000223189.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223189

0 1
S -2.647735 -3.421882 0.045652
O 2.730853 -0.456898 2.224245
N -3.450454 0.543727 0.578849
N 1.023801 -1.502324 -2.248363
N 0.332932 1.182493 -2.512387
C -2.917187 -0.822837 0.895802
C -3.301670 -1.753995 -0.254333
C -3.839394 1.290533 1.810440
C -2.499959 1.309647 -0.293755
C -0.555694 -3.392755 -1.733233
C -0.863827 -3.226359 -0.253451
C 0.884169 -2.967086 -2.080604
C 1.257571 -0.647846 -1.177583
C -2.716753 1.577992 2.811467
C -3.223512 2.477663 -0.965757
C 0.957030 0.771977 -1.343229
C 1.300531 1.685871 -0.304888
C 1.835831 -1.081504 0.017983
C 2.153360 -0.136763 1.018499
C 1.900600 1.224781 0.886003
C 0.997238 3.075236 -0.524562
C 0.392724 3.466307 -1.687680
C 0.065320 2.472196 -2.672294
C 3.072188 -1.839559 2.485185
H -1.817109 -0.825096 1.061576
H -3.372546 -1.190683 1.842654
H -2.959475 -1.363556 -1.230391
H -4.404667 -1.848367 -0.332489
H -4.304334 2.247752 1.482886
H -4.649380 0.709778 2.306134
H -1.609207 1.680561 0.260621
H -2.114618 0.620604 -1.079617
H -1.275418 -2.815788 -2.351534
H -0.706847 -4.449767 -2.036807
H 1.193794 -3.436616 -3.043974
H 1.601352 -3.334887 -1.312650
H -0.354116 -3.996433 0.356738
H -0.523458 -2.242932 0.128737
H 0.510780 -1.113775 -3.048285
H -3.084145 2.174021 3.653297
H -1.895198 2.137377 2.348229
H -2.289137 0.658344 3.224373
H -4.158821 2.143024 -1.433604
H -3.483585 3.264733 -0.249976
H -2.596540 2.924138 -1.744681
H 2.066080 -2.130745 0.160447
H 2.166377 1.912100 1.681727
H 1.262883 3.793227 0.250700
H 0.152246 4.508093 -1.887823
H -0.426658 2.770637 -3.604370
H 3.517152 -1.773587 3.487113
H 3.804614 -2.194787 1.754703
H 2.170119 -2.457281 2.497263


%chk=000223189-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223189

0 1
S -2.645262 -3.618219 0.497608
O 3.495125 -0.555088 1.893324
N -3.729183 0.432480 0.701846
N 0.658677 -1.343160 -2.104790
N 0.484277 1.308246 -2.462375
C -3.226156 -0.887098 1.154338
C -3.472041 -1.962399 0.074799
C -4.423180 1.219266 1.751477
C -2.736688 1.182011 -0.110376
C -0.720917 -3.404273 -1.621313
C -0.891471 -3.210763 -0.104905
C 0.605177 -2.803617 -2.167396
C 1.326705 -0.561883 -1.181808
C -3.531349 1.772433 2.897858
C -3.354219 2.335409 -0.921893
C 1.234752 0.877384 -1.386002
C 1.912235 1.776081 -0.479425
C 2.075844 -1.048342 -0.088110
C 2.735366 -0.133220 0.789229
C 2.665674 1.257268 0.610531
C 1.773862 3.180056 -0.753791
C 1.015334 3.607672 -1.846133
C 0.380699 2.634618 -2.681766
C 3.609699 -1.990908 2.153429
H -2.140968 -0.861422 1.415080
H -3.759569 -1.185535 2.075454
H -3.092203 -1.638100 -0.909811
H -4.548285 -2.174786 -0.029665
H -4.951810 2.059114 1.263141
H -5.209598 0.570560 2.182998
H -1.895807 1.575055 0.514672
H -2.277188 0.466038 -0.818008
H -1.567099 -2.927554 -2.153461
H -0.760437 -4.483273 -1.867652
H 0.720222 -3.114148 -3.224692
H 1.469329 -3.228483 -1.623221
H -0.223738 -3.878407 0.468072
H -0.677167 -2.170915 0.194999
H 0.177235 -0.783725 -2.821050
H -4.150538 2.319641 3.633262
H -2.764960 2.471321 2.516432
H -3.012157 0.955579 3.432370
H -4.193682 1.963922 -1.536331
H -3.732528 3.147123 -0.274171
H -2.589721 2.770904 -1.590873
H 2.147269 -2.123850 0.088951
H 3.187032 1.917163 1.309417
H 2.270476 3.904118 -0.097617
H 0.898970 4.672230 -2.073017
H -0.218166 2.944821 -3.545754
H 4.237241 -2.066832 3.053702
H 4.102395 -2.517826 1.313081
H 2.620596 -2.447984 2.352339


