%chk=000211386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211386

0 1
S 0.965374 2.007605 0.010100
O 0.941878 2.423719 -1.364291
O 1.418801 2.935171 1.030411
O -1.126601 0.037162 -0.907147
N -0.685984 1.751190 0.544792
N -2.910945 0.895521 0.285421
C 1.750733 0.492418 0.202586
C -3.840584 -0.166294 -0.174837
C -4.060221 -1.240166 0.903582
C 1.595690 -0.509297 -0.755309
C 2.262564 -1.739809 -0.602905
C 2.571088 0.285132 1.320762
C -1.557680 0.827352 -0.077167
C 3.081283 -1.942011 0.515917
C 3.234291 -0.931645 1.474427
C -5.067127 -2.283988 0.432503
C 2.090272 -2.803743 -1.635776
H -4.801655 0.321698 -0.451603
H -3.430999 -0.630105 -1.105646
H -3.094721 -1.729491 1.145764
H -4.410005 -0.777197 1.846274
H 0.939646 -0.349938 -1.624117
H -1.060860 2.405397 1.243704
H 2.695953 1.077777 2.066673
H -3.216088 1.448237 1.078414
H 3.604569 -2.889661 0.645187
H 3.874413 -1.098412 2.339619
H -4.728305 -2.791504 -0.479338
H -5.219213 -3.057326 1.195216
H -6.046590 -1.840882 0.218018
H 2.576559 -2.519688 -2.581482
H 2.513984 -3.768709 -1.330865
H 1.026479 -2.976011 -1.862084


%chk=000211386-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211386

0 1
S 0.904059 1.988564 -0.045103
O 0.819379 2.373847 -1.611362
O 1.416858 3.073635 1.054668
O -1.262986 -0.079342 -0.901564
N -0.776841 1.622009 0.631705
N -2.975360 0.814846 0.428093
C 1.868149 0.379924 0.179432
C -4.005992 -0.121273 -0.054428
C -4.357198 -1.231081 0.964063
C 1.779599 -0.594658 -0.821109
C 2.546888 -1.779869 -0.665386
C 2.664500 0.285208 1.331471
C -1.662173 0.734458 -0.015484
C 3.357818 -1.912723 0.491909
C 3.421666 -0.898684 1.476574
C -5.447682 -2.176961 0.416896
C 2.490052 -2.865949 -1.723355
H -4.916155 0.453034 -0.317810
H -3.611326 -0.572208 -0.981356
H -3.438346 -1.801527 1.197280
H -4.701107 -0.771705 1.912938
H 1.120125 -0.446764 -1.681287
H -1.066344 2.359587 1.285395
H 2.699247 1.101515 2.059302
H -3.230064 1.485454 1.154191
H 3.952316 -2.824621 0.622453
H 4.062187 -1.026827 2.355286
H -5.114339 -2.668303 -0.516017
H -5.690549 -2.969064 1.147363
H -6.381229 -1.626530 0.193446
H 2.964698 -2.528563 -2.663957
H 3.010798 -3.780678 -1.392891
H 1.445351 -3.132250 -1.964555


