%chk=000196473.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196473

0 1
O 2.709628 3.043823 0.313847
O 2.270798 1.902475 -1.565699
O -0.632886 1.072979 2.168612
O 4.021653 -2.865307 -1.410258
O 5.100105 -1.727615 0.187387
N 0.336506 0.535132 0.181978
N -5.774653 -1.001216 -1.117629
C 1.674264 0.935107 0.642378
C 2.655850 -0.244064 0.758417
C 2.860232 -1.014226 -0.547142
C 2.220815 1.959492 -0.359329
C -0.783607 0.663387 1.030479
C -2.076356 0.248229 0.433340
C 4.108663 -1.840893 -0.492233
C -2.970585 -0.480967 1.239268
C -2.447587 0.601882 -0.873945
C -4.204601 -0.879967 0.744180
C -3.680414 0.218606 -1.386725
C -4.567534 -0.537622 -0.581558
H 1.576030 1.430071 1.662656
H 3.635171 0.132505 1.136156
H 2.287758 -0.933966 1.549185
H 2.932870 -0.319689 -1.422972
H 1.984284 -1.661871 -0.774335
H 0.270971 0.116663 -0.741411
H -2.685335 -0.726725 2.266729
H -1.771790 1.196440 -1.492870
H -4.883372 -1.453473 1.369505
H -3.958212 0.493239 -2.400477
H 3.087308 3.743219 -0.288191
H 4.837297 -3.434042 -1.431337
H -6.489227 -1.327099 -0.486990
H -6.128742 -0.569210 -1.955618


%chk=000196473-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196473

0 1
O 3.461173 2.759643 0.209499
O 1.740711 2.675224 -1.346277
O -0.312118 0.010096 2.182649
O 3.928689 -2.597671 -1.643182
O 4.172667 -2.455073 0.661254
N 0.336813 0.860764 0.130601
N -5.861982 -0.929834 -1.028200
C 1.664532 1.208314 0.644869
C 2.614951 -0.021661 0.781935
C 2.851108 -0.742852 -0.555217
C 2.250375 2.273293 -0.273453
C -0.607167 0.274840 0.968373
C -1.951986 -0.021207 0.386647
C 3.703261 -1.985772 -0.397455
C -2.969973 -0.458922 1.276379
C -2.274598 0.093804 -0.993414
C -4.260758 -0.758814 0.819729
C -3.562918 -0.205717 -1.466782
C -4.583382 -0.634382 -0.565684
H 1.557293 1.635672 1.662017
H 3.572048 0.317834 1.214232
H 2.149832 -0.707526 1.509518
H 3.346994 -0.090969 -1.301251
H 1.887985 -1.045168 -1.009957
H 0.087813 1.238450 -0.787090
H -2.710369 -0.556729 2.335766
H -1.519031 0.397887 -1.728229
H -5.029815 -1.092261 1.527085
H -3.787214 -0.116408 -2.536587
H 3.817717 3.450540 -0.412281
H 4.484334 -3.412948 -1.507673
H -6.587316 -1.241829 -0.388844
H -6.094369 -0.845321 -2.013580


