%chk=000210576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210576

0 1
S 2.145862 -2.061462 -1.661834
O -0.453156 0.201773 0.011141
N -4.106340 0.163048 0.188550
N 0.530653 -1.534234 -1.270052
C -2.714483 0.677846 0.371743
C -5.090818 1.271686 -0.036889
C -4.512144 -0.717420 1.335560
C -1.793202 -0.300815 -0.366901
C -4.898630 1.868137 -1.431597
C -5.666770 -1.624236 0.908019
C 1.949485 0.020373 -0.130472
C 0.608431 -0.470845 -0.488565
C 2.935473 -0.795832 -0.732746
C 2.330774 1.105045 0.665440
C 4.669173 0.534448 0.240826
C 4.292261 -0.555265 -0.559079
C 3.688639 1.354822 0.845859
C 6.113298 0.841471 0.462887
H -2.399297 0.771875 1.433265
H -2.599144 1.693902 -0.066032
H -6.114805 0.838160 0.034955
H -5.028083 2.068150 0.735372
H -3.640806 -1.350466 1.617991
H -4.792121 -0.140340 2.243086
H -1.889502 -0.252633 -1.463769
H -1.883222 -1.345296 -0.026960
H -3.951890 2.412295 -1.522492
H -4.885805 1.077856 -2.195499
H -5.709467 2.560722 -1.678440
H -6.592553 -1.062510 0.740750
H -5.431314 -2.137746 -0.035114
H -5.867660 -2.388508 1.665530
H 1.570157 1.733835 1.128821
H 5.039895 -1.190372 -1.027725
H 4.004843 2.194573 1.461885
H 6.366887 1.850004 0.103310
H 6.369419 0.805761 1.532369
H 6.785064 0.140596 -0.050491


%chk=000210576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210576

0 1
S 2.131959 -2.242644 -1.473251
O -0.423774 0.278847 0.113508
N -4.164326 0.221377 0.214167
N 0.477593 -1.583782 -1.052032
C -2.781526 0.708395 0.438664
C -5.148876 1.311743 -0.013812
C -4.599814 -0.768104 1.237741
C -1.780411 -0.243538 -0.225484
C -5.025161 1.947034 -1.411784
C -5.674798 -1.740446 0.716290
C 2.000649 0.016723 -0.077387
C 0.647134 -0.453113 -0.353376
C 2.969533 -0.864868 -0.631740
C 2.423711 1.170434 0.627271
C 4.777120 0.533516 0.205503
C 4.351990 -0.618756 -0.497430
C 3.799835 1.417559 0.761877
C 6.255240 0.838274 0.372147
H -2.534187 0.810143 1.521593
H -2.663924 1.710476 -0.009748
H -6.159551 0.875901 0.084629
H -5.069056 2.105467 0.771957
H -3.711577 -1.355516 1.537031
H -4.965565 -0.258138 2.165049
H -1.901441 -0.259442 -1.322621
H -1.866609 -1.280076 0.148830
H -4.032871 2.408015 -1.569249
H -5.169793 1.179188 -2.191465
H -5.786062 2.738637 -1.546055
H -6.603303 -1.215171 0.427862
H -5.299236 -2.278468 -0.171205
H -5.937637 -2.479246 1.496344
H 1.675677 1.847069 1.052160
H 5.092335 -1.301807 -0.927091
H 4.140153 2.307548 1.304282
H 6.514192 1.815428 -0.077282
H 6.534229 0.889651 1.441388
H 6.887249 0.070087 -0.104576


