%chk=000193978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193978

0 1
O 1.660394 -2.855737 1.120818
O 6.021171 2.188175 -1.756950
O 7.945694 1.219166 -1.148168
O -3.869123 1.900511 1.965866
O -4.582576 -0.637521 -2.219783
O -5.585217 1.373728 -0.371530
N 5.149611 -0.272834 -0.283204
N 2.879301 -0.949844 1.375574
C 3.865342 0.492617 -0.406513
C 4.892248 -1.703634 0.086426
C 3.132854 0.450140 0.950628
C 4.134194 -1.749657 1.430473
C 5.947780 -0.176896 -1.541812
C 1.674992 -1.631461 1.092288
C 6.782247 1.084027 -1.427771
C 0.452206 -0.810747 0.880978
C -0.698621 -1.396218 0.527464
C -1.951881 -0.653406 0.293953
C -2.696542 -0.929239 -0.864105
C -2.387054 0.309942 1.205299
C -3.604199 0.988891 0.982512
C -3.893985 -0.241514 -1.089987
C -4.384673 0.702195 -0.157607
C -5.050939 2.735877 1.847413
C -5.061066 0.428689 -3.085603
C -6.748485 0.519084 -0.158692
H 3.204185 0.111464 -1.213320
H 4.119288 1.548330 -0.665254
H 5.873241 -2.214028 0.206680
H 4.321729 -2.259990 -0.688274
H 3.761361 0.934510 1.736200
H 2.182872 1.024810 0.894960
H 4.767441 -1.334814 2.247066
H 3.891062 -2.806854 1.693703
H 6.645956 -1.043064 -1.632968
H 5.341269 -0.148381 -2.475332
H 0.538188 0.266737 1.034873
H -0.759889 -2.485978 0.384232
H 6.527727 3.039822 -1.679286
H -2.361004 -1.664541 -1.592864
H -1.816232 0.540790 2.103699
H -5.088894 3.215113 0.862558
H -4.888782 3.463504 2.651138
H -5.943954 2.130078 2.020900
H -4.202776 0.859699 -3.608958
H -5.605875 1.194027 -2.520804
H -5.718527 -0.113742 -3.773725
H -7.577563 1.193126 -0.393862
H -6.716118 -0.335715 -0.843138
H -6.780578 0.185860 0.881411


%chk=000193978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193978

0 1
O 1.460196 -2.957156 -0.514439
O 6.770012 2.429263 0.649074
O 8.556280 0.948214 0.604815
O -3.552019 2.600827 0.975151
O -5.695354 -1.405423 -1.009194
O -5.956130 1.255108 0.101729
N 5.414661 -0.147433 -0.118817
N 2.819644 -1.288646 0.367281
C 4.220963 0.724782 -0.008493
C 5.066085 -1.484734 -0.666875
C 3.153502 0.053260 0.882280
C 4.006213 -2.158926 0.225356
C 6.563604 0.492994 -0.800154
C 1.567948 -1.778071 -0.029646
C 7.420180 1.267375 0.198453
C 0.375752 -0.896608 0.133654
C -0.852129 -1.347959 -0.264655
C -2.134938 -0.635913 -0.184920
C -3.304664 -1.301073 -0.645283
C -2.261259 0.692450 0.307821
C -3.516940 1.326255 0.382135
C -4.562093 -0.672568 -0.586253
C -4.693967 0.634246 -0.035028
C -4.243791 3.674684 0.227340
C -6.434928 -0.811535 -2.147855
C -6.847564 0.596979 1.092585
H 3.776123 0.932581 -1.015446
H 4.522895 1.685996 0.440233
H 5.975774 -2.111979 -0.680490
H 4.671658 -1.417706 -1.711100
H 3.560946 -0.043096 1.909061
H 2.262301 0.695328 0.924948
H 4.442072 -2.343483 1.227381
H 3.670428 -3.113438 -0.210223
H 7.214600 -0.288053 -1.224706
H 6.252510 1.174249 -1.626534
H 0.483785 0.096811 0.579074
H -0.872323 -2.361473 -0.690636
H 7.342423 2.880624 1.328214
H -3.248411 -2.314928 -1.054878
H -1.393387 1.259155 0.657401
H -3.726730 3.860762 -0.733964
H -4.166077 4.564048 0.870967
H -5.299209 3.412781 0.047653
H -5.787817 -0.781212 -3.044790
H -6.788581 0.206016 -1.903244
H -7.287008 -1.485401 -2.323819
H -7.788430 1.167228 1.063166
H -7.022285 -0.457096 0.813494
H -6.396721 0.656990 2.099777


