%chk=000258669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258669

0 1
S -3.848426 0.645838 0.306193
N -1.363508 1.096478 -0.309305
N 1.447435 0.439572 -0.463287
C -0.905663 -0.192840 -0.923532
C -0.326406 2.161947 -0.513148
C 0.413343 -0.629474 -0.256811
C 0.991025 1.722161 0.159359
C -2.683513 1.513308 -0.827784
C 2.784520 0.016980 -0.122167
C 3.353682 -1.009011 -0.911091
C 3.564849 0.624591 0.876535
C -5.395477 0.713513 -0.662265
C -6.488275 0.088749 0.195745
C 4.669262 -1.406405 -0.699999
C 4.889160 0.223173 1.073990
C 5.453313 -0.793717 0.294659
C -6.374464 -1.440214 0.285738
C 6.867207 -1.230751 0.503853
C -7.527938 -2.041297 1.085658
H -0.765216 -0.120012 -2.023852
H -1.682800 -0.966953 -0.734074
H -0.683343 3.097056 -0.030525
H -0.141829 2.383982 -1.586780
H 0.238970 -0.833341 0.823738
H 0.765551 -1.575303 -0.719445
H 1.765865 2.499582 -0.017095
H 0.836364 1.634172 1.258016
H -2.894042 1.237001 -1.878602
H -2.835024 2.606782 -0.724670
H 2.763926 -1.473989 -1.699368
H 3.154275 1.405738 1.510687
H -5.272519 0.174631 -1.617959
H -5.639231 1.763182 -0.904575
H -6.482768 0.526050 1.216348
H -7.477591 0.360577 -0.228837
H 5.098651 -2.195880 -1.314727
H 5.481352 0.708004 1.848390
H -6.353557 -1.878923 -0.730574
H -5.409158 -1.721530 0.754021
H -7.436402 -3.131480 1.150687
H -8.498840 -1.820272 0.628907
H -7.551241 -1.654905 2.111328
H 6.922699 -2.302735 0.739434
H 7.472135 -1.061663 -0.398232
H 7.358547 -0.695072 1.325815


%chk=000258669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258669

0 1
S -3.961408 0.697567 0.531724
N -1.324670 1.204512 -0.189703
N 1.443515 0.418286 -0.168184
C -0.921865 -0.100661 -0.748878
C -0.257552 2.217862 -0.321818
C 0.362434 -0.593051 -0.064491
C 1.035869 1.733185 0.362089
C -2.664822 1.635035 -0.536206
C 2.798318 0.006653 -0.039856
C 3.261218 -1.184568 -0.678411
C 3.758870 0.773218 0.682354
C -5.373786 0.611177 -0.741928
C -6.629024 -0.016864 -0.108932
C 4.608567 -1.578229 -0.593320
C 5.111330 0.369581 0.746570
C 5.570465 -0.811433 0.117838
C -6.461787 -1.497301 0.305940
C 7.024367 -1.246319 0.192557
C -7.755565 -2.087440 0.906475
H -0.750162 -0.032426 -1.852495
H -1.739694 -0.820419 -0.562546
H -0.589185 3.155752 0.161154
H -0.028259 2.439722 -1.393988
H 0.134459 -0.801025 1.006162
H 0.683749 -1.536894 -0.530870
H 1.830959 2.469541 0.152185
H 0.871863 1.696986 1.464756
H -2.955658 1.433086 -1.593718
H -2.771158 2.713315 -0.332865
H 2.570226 -1.791887 -1.272443
H 3.457124 1.677075 1.219860
H -5.023062 0.014309 -1.604448
H -5.585194 1.641857 -1.077816
H -6.934814 0.583598 0.771212
H -7.457188 0.060216 -0.844432
H 4.925162 -2.497038 -1.104016
H 5.820126 0.985941 1.314120
H -6.155642 -2.089534 -0.580546
H -5.635160 -1.582053 1.037510
H -7.620986 -3.146789 1.191740
H -8.591625 -2.035411 0.183061
H -8.060380 -1.530248 1.812362
H 7.125741 -2.252147 0.643118
H 7.487015 -1.293485 -0.812174
H 7.622167 -0.545954 0.801695


