%chk=000234983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234983

0 1
S 3.037195 1.896503 0.092131
O 1.436266 -0.992640 1.139066
O 2.467056 -1.262490 -2.007399
O 4.568533 -2.788509 0.848215
N -0.324629 -0.202784 -0.211367
N -1.815073 -1.320003 -1.568554
N -1.978052 1.113846 1.145666
N -4.295966 0.671838 0.486807
N -4.884571 -0.819554 -1.252491
C 2.010644 0.568694 -0.583615
C 2.894305 -0.675314 -0.765659
C 0.944130 0.168920 0.454682
C 2.498800 -1.636584 0.386427
C 3.620344 -1.875615 1.407497
C -1.606133 0.210131 0.181618
C -0.524777 -1.149215 -1.279638
C 2.050640 3.388529 -0.290064
C -2.523038 -0.488334 -0.679068
C 2.802979 4.547360 0.326020
C -3.912254 -0.226100 -0.491687
C -3.325479 1.282860 1.236566
H 1.565739 0.865540 -1.565573
H 0.729089 0.906274 1.272573
H 3.984860 -0.471864 -0.812042
H 2.077940 -2.586475 -0.007493
H 3.212580 -2.254764 2.362164
H 4.217433 -0.965155 1.610664
H 3.195975 -1.772769 -2.417731
H 0.325370 -1.622205 -1.768955
H 1.946327 3.504029 -1.384900
H 1.032203 3.292107 0.133603
H 4.238134 -3.708833 0.908247
H 2.906340 4.447704 1.416547
H 3.814290 4.661557 -0.089644
H 2.275152 5.495240 0.144080
H -3.687182 1.992945 2.000340
H -5.859378 -0.632230 -1.080898
H -4.634995 -1.501036 -1.952534


%chk=000234983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234983

0 1
S 3.061709 1.720161 0.057995
O 1.440064 -1.421900 0.969828
O 2.383600 -1.617970 -2.084280
O 5.143702 -2.095413 0.926412
N -0.365876 -0.432676 -0.281872
N -2.031991 -1.345424 -1.570172
N -1.695541 1.256312 0.968462
N -4.072503 1.207602 0.333944
N -4.942730 -0.279130 -1.285464
C 2.034725 0.292005 -0.649098
C 2.930260 -0.942917 -0.888373
C 0.939625 -0.186399 0.346268
C 2.751114 -1.800878 0.385858
C 3.861703 -1.573509 1.431817
C -1.542965 0.241605 0.068912
C -0.720030 -1.370630 -1.270062
C 1.735608 3.087576 -0.031821
C -2.558435 -0.336780 -0.736911
C 2.326744 4.389487 0.525232
C -3.872583 0.190038 -0.572028
C -2.996218 1.675244 1.037339
H 1.602703 0.631298 -1.603740
H 0.743719 0.549640 1.144965
H 3.991890 -0.677300 -1.046154
H 2.688645 -2.876516 0.128392
H 3.567463 -2.043872 2.389924
H 4.025152 -0.496764 1.601568
H 3.023182 -2.311434 -2.385055
H 0.026900 -2.013239 -1.729789
H 1.448637 3.193216 -1.092727
H 0.856373 2.761871 0.550679
H 5.167248 -3.077961 1.045048
H 2.620227 4.275953 1.583784
H 3.214290 4.709649 -0.048891
H 1.572658 5.195601 0.466561
H -3.206144 2.485743 1.741631
H -5.860193 0.132203 -1.127963
H -4.811936 -1.032890 -1.956617


