%chk=000215803.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215803

0 1
S 2.643747 -1.131979 0.887460
O -0.505638 1.814576 -0.659410
O -1.749790 -1.666493 1.106532
N 2.191699 0.845109 -0.789601
N 0.241071 -0.070024 0.428846
N -2.120672 0.285332 -0.083598
N -3.913657 -1.211970 0.568030
C 1.659911 0.400994 0.514636
C 1.828511 1.454917 1.585450
C 2.946585 -0.142522 -1.467853
C -0.742175 0.740059 -0.115119
C 3.310417 -1.213849 -0.736230
C -3.116525 1.208410 -0.690956
C -2.545933 -0.915110 0.551653
H 1.612681 1.497660 -1.327517
H 2.880593 1.765309 1.680729
H 1.248601 2.362587 1.349150
H 1.496797 1.101658 2.571042
H 0.002669 -0.997913 0.847632
H 3.232508 0.063516 -2.498088
H 3.933000 -2.042475 -1.018108
H -3.855136 1.541577 0.055736
H -3.618899 0.734115 -1.548036
H -2.605237 2.119929 -1.074506
H -4.177170 -2.122044 0.927423
H -4.580357 -0.769769 -0.038798


%chk=000215803-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215803

0 1
S 2.709069 -1.121404 0.997431
O -0.469555 1.924367 -0.595167
O -1.646538 -1.752605 1.055662
N 2.157547 0.828022 -0.757563
N 0.227632 0.000060 0.526200
N -2.082819 0.290606 -0.068921
N -3.808948 -1.265681 0.407225
C 1.668162 0.437482 0.570108
C 1.857998 1.537865 1.624503
C 2.797541 -0.188709 -1.486736
C -0.719479 0.792351 -0.057877
C 3.173687 -1.289137 -0.775942
C -3.086964 1.164182 -0.712614
C -2.463741 -0.948622 0.494058
H 1.611160 1.566267 -1.212525
H 2.917684 1.833688 1.665600
H 1.244325 2.414891 1.350421
H 1.539758 1.180495 2.618801
H -0.068483 -0.924130 0.897141
H 2.986323 -0.032391 -2.550465
H 3.717861 -2.166984 -1.111747
H -3.861335 1.483115 0.010023
H -3.556390 0.662705 -1.579520
H -2.552161 2.057044 -1.069589
H -4.081821 -2.160026 0.809143
H -4.512913 -0.671852 -0.021148


