%chk=000289124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289124

0 1
S 0.267607 3.429234 0.154193
O -3.420491 -0.282763 -1.462282
N -1.585584 -0.088969 0.733810
N -2.976643 -0.130214 0.838511
N -5.103005 -0.845764 -0.008485
C 1.267625 -0.476002 -0.006715
C 0.577714 -1.785044 -0.273903
C 1.527805 -2.895683 -0.733852
C 2.665862 -0.422430 0.200046
C 2.747968 -2.964602 0.188233
C 3.534375 -1.650540 0.124332
C 0.523298 0.720803 0.057821
C 1.195510 1.938107 0.251649
C -0.964556 0.769245 -0.033882
C 3.295540 0.803689 0.457932
C -1.613683 1.784357 -0.942553
C 2.566604 1.995788 0.468694
C -0.757535 2.987981 -1.287406
C -3.792473 -0.416225 -0.307329
H 0.056871 -2.099538 0.659936
H -0.227316 -1.652591 -1.027276
H 0.994936 -3.864662 -0.744182
H 1.849706 -2.711381 -1.777223
H 3.400741 -3.810822 -0.094305
H 2.423201 -3.159880 1.229140
H 4.112575 -1.609748 -0.824627
H 4.288442 -1.633214 0.937864
H 4.369853 0.835187 0.637059
H -1.941870 1.255562 -1.875981
H -2.565407 2.129042 -0.473669
H 3.069719 2.947804 0.635277
H -0.104434 2.792189 -2.159404
H -1.376387 3.870200 -1.538236
H -3.204441 -0.653739 1.704077
H -5.755623 -0.852790 -0.784825
H -5.526905 -0.648787 0.884160


%chk=000289124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289124

0 1
S 0.282779 3.568110 0.171789
O -3.340719 -0.491625 -1.582840
N -1.566728 -0.138155 0.765303
N -2.987552 -0.210513 0.746823
N -5.135664 -0.639589 -0.092314
C 1.280125 -0.484191 0.013512
C 0.590124 -1.828096 -0.232677
C 1.555639 -2.929776 -0.717921
C 2.693223 -0.434721 0.191042
C 2.783014 -3.006362 0.212420
C 3.572550 -1.684572 0.130526
C 0.527545 0.739632 0.056595
C 1.210893 1.981180 0.208562
C -0.966791 0.754871 -0.011045
C 3.330472 0.813078 0.404746
C -1.698338 1.806424 -0.833722
C 2.607712 2.019317 0.396822
C -0.840986 3.009152 -1.247966
C -3.787645 -0.440963 -0.399689
H 0.108580 -2.155616 0.708126
H -0.240238 -1.696386 -0.950806
H 1.020433 -3.897947 -0.742681
H 1.891841 -2.718463 -1.753580
H 3.439217 -3.854518 -0.060181
H 2.437918 -3.180000 1.251558
H 4.140090 -1.667923 -0.824011
H 4.330682 -1.635299 0.936426
H 4.417727 0.837303 0.551930
H -2.117964 1.317297 -1.736289
H -2.570305 2.142848 -0.235156
H 3.115228 2.981188 0.519289
H -0.180267 2.773494 -2.098408
H -1.470316 3.875792 -1.507465
H -3.319688 -0.626525 1.620297
H -5.750776 -0.882251 -0.865220
H -5.542216 -0.412393 0.812805


