%chk=000122632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000122632

0 1
S -1.783358 -1.952861 -0.041724
S 1.558851 2.075453 -0.310684
N -4.318016 1.181282 -0.177580
N 0.573577 -0.649035 -0.072820
N 0.599537 -3.076282 0.090907
C -3.819784 -0.220147 0.041488
C -2.306709 -0.214197 -0.175718
C -4.076025 2.030771 1.026253
C -5.772211 1.170100 -0.517759
C -0.032805 -1.865525 -0.005628
C 1.946955 -0.636326 -0.043517
C 2.568177 0.670161 -0.119802
C 2.677412 -1.837829 0.053427
C 3.889685 1.035400 -0.067502
C 1.955871 -3.041527 0.118980
C 4.081858 2.455318 -0.182275
C 2.912754 3.149636 -0.320125
H -4.309797 -0.889917 -0.702441
H -4.076726 -0.619874 1.047347
H -1.778467 0.416838 0.565860
H -2.039869 0.201317 -1.168726
H -2.995549 2.051129 1.243968
H -4.604720 1.710200 1.935581
H -4.376687 3.065764 0.796578
H -6.101600 2.204710 -0.707974
H -6.427658 0.736512 0.251071
H -5.916485 0.612312 -1.457397
H 3.762090 -1.835596 0.075030
H 4.719003 0.350843 0.047879
H 2.464717 -4.011267 0.195895
H 5.067022 2.901395 -0.158924
H 2.785957 4.214542 -0.425169


%chk=000122632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122632

0 1
S -1.818558 -2.119840 -0.072391
S 1.424794 2.121459 -0.219025
N -4.345071 1.170864 -0.188178
N 0.549519 -0.726626 -0.076604
N 0.650239 -3.159454 0.073576
C -3.852292 -0.212878 0.013183
C -2.333626 -0.298135 -0.219742
C -3.945328 2.097842 0.891208
C -5.800753 1.215080 -0.438308
C -0.013212 -1.962742 -0.021808
C 1.923735 -0.653783 -0.031825
C 2.513606 0.679019 -0.089232
C 2.704565 -1.839829 0.065406
C 3.853602 1.068005 -0.060289
C 2.010854 -3.067514 0.115133
C 4.047508 2.489017 -0.137676
C 2.854633 3.195941 -0.226267
H -4.367619 -0.861483 -0.720544
H -4.100617 -0.607164 1.032191
H -1.746205 0.259672 0.524523
H -2.068528 0.060574 -1.225623
H -2.846668 2.135120 0.982187
H -4.368204 1.815662 1.889589
H -4.294828 3.116584 0.646529
H -6.103478 2.252059 -0.670117
H -6.414663 0.864412 0.430375
H -6.049428 0.584974 -1.310630
H 3.795525 -1.813242 0.099977
H 4.681098 0.358067 0.014303
H 2.549599 -4.018383 0.190704
H 5.029399 2.967545 -0.128499
H 2.707403 4.272478 -0.297627


