%chk=000196989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196989

0 1
O -0.985093 -1.617308 -1.423141
O -3.895271 -1.564580 -1.241338
O -4.990729 0.060088 0.931712
O 1.114716 4.455004 -1.033220
O 5.303100 -1.978479 -0.068314
O 5.711592 0.205055 0.336597
N 0.009734 2.518529 -0.556402
C 0.874104 2.199793 0.610772
C 0.105275 2.408250 1.937589
C -0.560023 1.157136 2.521806
C 1.441827 0.799603 0.456466
C -1.435062 0.466311 1.514355
C 0.629348 -0.353135 0.364065
C -0.841379 -0.270756 0.466998
C 2.833456 0.666119 0.388151
C -1.679017 -0.944520 -0.458692
C -2.824328 0.575159 1.609902
C 1.232372 -1.614074 0.199624
C 3.422835 -0.597639 0.236769
C -3.085609 -0.875347 -0.340908
C -3.646184 -0.079089 0.680894
C 2.617241 -1.741398 0.135897
C 0.234529 3.662708 -1.327315
C 4.899025 -0.679444 0.186575
C -0.686622 3.828277 -2.504531
C -1.699894 -2.175714 -2.558648
C -4.448668 -2.785372 -0.663261
C -5.867164 0.269103 -0.209686
C 6.736301 -2.200664 -0.141144
H 1.724208 2.950624 0.600324
H 0.812477 2.815170 2.689282
H -0.657112 3.202027 1.791899
H -1.140537 1.440180 3.424396
H 0.218673 0.451436 2.888628
H -0.711225 1.844233 -0.793301
H 3.480076 1.549108 0.450006
H -3.291105 1.165627 2.396817
H 0.599986 -2.499136 0.107637
H 3.082125 -2.722411 0.008676
H -0.452007 4.768855 -3.029869
H -0.574590 3.016083 -3.234374
H -1.741570 3.877479 -2.208409
H -2.408674 -1.450588 -2.972201
H -2.212781 -3.089352 -2.247915
H -0.875813 -2.384293 -3.252026
H -5.068474 -2.540258 0.205276
H -5.048809 -3.181591 -1.487959
H -3.641741 -3.468118 -0.386280
H -5.747139 1.303926 -0.543666
H -6.857007 0.102466 0.229955
H -5.659857 -0.435133 -1.023133
H 7.165803 -1.578410 -0.933048
H 7.192444 -1.962842 0.824992
H 6.800337 -3.267702 -0.375779


%chk=000196989-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196989

0 1
O -1.281739 -1.883866 -1.272780
O -4.076853 -1.625641 -1.020348
O -5.134057 0.119601 1.069636
O 1.182849 4.126229 -1.535558
O 5.327557 -2.120262 0.051888
O 5.677124 0.177376 0.219545
N -0.107460 2.423601 -0.598919
C 0.831831 2.155330 0.514823
C 0.191250 2.467476 1.903843
C -0.565863 1.271890 2.547639
C 1.410716 0.737062 0.438393
C -1.481279 0.533501 1.583816
C 0.568948 -0.423159 0.427682
C -0.914738 -0.299064 0.563433
C 2.808707 0.576987 0.352356
C -1.804992 -1.002808 -0.297733
C -2.881285 0.666586 1.686623
C 1.171183 -1.705210 0.309159
C 3.399544 -0.707518 0.253957
C -3.218108 -0.889800 -0.167796
C -3.761405 -0.023416 0.819671
C 2.567068 -1.854463 0.226707
C 0.145788 3.394326 -1.557208
C 4.883996 -0.796180 0.177453
C -0.917066 3.526367 -2.646452
C -1.455686 -1.428605 -2.672296
C -4.101703 -3.082174 -0.730226
C -6.022853 0.402180 -0.080705
C 6.796281 -2.287929 -0.026013
H 1.650247 2.878294 0.347432
H 0.991780 2.783695 2.600165
H -0.486505 3.332085 1.773636
H -1.148223 1.642106 3.410630
H 0.184146 0.561300 2.945140
H -0.959672 1.863790 -0.659476
H 3.466153 1.453659 0.348051
H -3.324135 1.302723 2.459528
H 0.527996 -2.588264 0.284751
H 3.020570 -2.845699 0.144491
H -1.317465 4.554834 -2.637088
H -0.441950 3.370965 -3.630491
H -1.754323 2.815098 -2.534518
H -0.897661 -0.486844 -2.835220
H -2.527242 -1.291988 -2.903566
H -1.026190 -2.227161 -3.295735
H -4.476089 -3.257078 0.295267
H -4.795703 -3.516237 -1.466189
H -3.092072 -3.512339 -0.851766
H -5.761866 1.381479 -0.526267
H -7.034648 0.446425 0.349483
H -5.950903 -0.391104 -0.841711
H 7.198034 -1.746205 -0.898920
H 7.275275 -1.899371 0.888668
H 6.950791 -3.371582 -0.125385


