%chk=000196859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196859

0 1
O -0.628848 0.071687 0.604752
O 4.496148 -1.895781 -0.185169
O 1.549991 0.925450 -2.050449
O 2.892951 5.284060 3.877721
O 2.480872 -3.713652 -3.743862
N -5.712889 -0.807289 2.558971
N 1.891067 0.171715 0.074449
N 3.679384 -1.015090 -2.130030
N -6.141633 0.325577 -3.284888
N 3.324696 -4.087020 -1.664855
C 3.364374 0.263372 -0.027845
C -4.316060 -0.074633 0.894252
C -5.680052 0.106865 0.464552
C 4.009488 0.346418 1.366621
C -4.360103 -0.649382 2.210630
C -6.108364 0.673861 -0.837969
C -6.502062 -0.346322 1.491399
C -3.070469 0.194244 0.290073
C 3.693513 1.643898 2.051883
C -1.941651 -0.123324 1.021684
C -3.186538 -0.960217 2.931795
C 3.894269 -0.998528 -0.761613
C -5.914904 -0.350249 -1.973945
C -1.974554 -0.695712 2.331056
C 1.080997 0.582119 -0.970833
C -0.425317 0.560436 -0.743267
C 2.696349 1.703175 3.034684
C 4.402581 2.810620 1.706015
C 2.394914 2.908614 3.674510
C 4.122538 4.022663 2.326963
C 4.146518 -2.139292 -2.957698
C 3.114668 4.053090 3.307896
C 3.221958 -3.363483 -2.842324
H 3.636943 1.178626 -0.629417
H 5.111626 0.217330 1.261656
H 3.708881 -0.528172 1.983778
H -7.163719 1.008717 -0.798211
H -5.518717 1.590667 -1.067340
H -7.576947 -0.369292 1.534755
H -3.043471 0.633607 -0.701550
H -6.053393 -1.182700 3.420548
H 1.493426 -0.113361 0.972097
H -3.243515 -1.395063 3.926157
H -6.573012 -1.229025 -1.805635
H -4.868021 -0.730192 -1.959406
H -1.031178 -0.912594 2.826353
H -0.915205 -0.118289 -1.470120
H -0.843658 1.582752 -0.833790
H 2.146187 0.804345 3.312003
H 5.181422 2.766053 0.944009
H 3.059256 -0.327462 -2.587700
H 1.621022 2.950796 4.433692
H 4.656940 4.936520 2.075307
H 5.189903 -2.421704 -2.673967
H 4.175054 -1.821200 -4.027673
H -5.967642 -0.319237 -4.049912
H -7.104676 0.634788 -3.369894
H 2.172591 5.257528 4.553694
H 2.716046 -4.874050 -1.503371
H 3.863726 -3.749580 -0.869424


%chk=000196859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196859

0 1
O -0.530831 0.119937 0.647614
O 4.714003 -1.944792 -0.344563
O 1.563460 0.736265 -2.251687
O 2.249780 4.884394 4.222929
O 2.811436 -3.903528 -4.065311
N -5.723271 -0.111520 2.700416
N 1.983465 0.123522 -0.039626
N 3.732840 -1.044433 -2.260217
N -6.185142 -0.166149 -3.293289
N 3.596268 -4.079683 -1.871279
C 3.456581 0.193571 -0.147563
C -4.275855 0.208170 0.963542
C -5.629224 0.381954 0.463521
C 4.099879 0.291966 1.255790
C -4.363814 -0.100153 2.365427
C -6.024362 0.681922 -0.960637
C -6.478106 0.179679 1.553945
C -2.998860 0.296468 0.342563
C 3.608512 1.487967 2.057750
C -1.861584 0.069228 1.139172
C -3.214287 -0.325326 3.155546
C 4.022870 -1.035464 -0.921734
C -5.904337 -0.551818 -1.897465
C -1.959578 -0.239191 2.528721
C 1.154634 0.450355 -1.072890
C -0.340488 0.454738 -0.762142
C 2.786548 1.315722 3.197735
C 3.956285 2.813620 1.681443
C 2.316677 2.422018 3.941274
C 3.498871 3.928465 2.408179
C 4.230137 -2.091069 -3.171035
C 2.673234 3.730498 3.540043
C 3.465801 -3.439733 -3.085238
H 3.693181 1.099093 -0.741216
H 5.193884 0.337757 1.107359
H 3.911797 -0.653286 1.796239
H -7.067531 1.054865 -0.994664
H -5.389542 1.481808 -1.387874
H -7.565256 0.224792 1.594979
H -2.923818 0.539987 -0.721373
H -6.102627 -0.291210 3.626782
H 1.542850 -0.063535 0.867974
H -3.283605 -0.561320 4.222967
H -6.564648 -1.359446 -1.498618
H -4.869553 -0.939543 -1.850044
H -1.035856 -0.404923 3.091368
H -0.839095 -0.285525 -1.419498
H -0.744679 1.460161 -0.994175
H 2.518162 0.302563 3.523051
H 4.602521 2.977893 0.810010
H 3.057756 -0.332596 -2.602884
H 1.681993 2.263834 4.822957
H 3.768259 4.949422 2.122358
H 5.297992 -2.273284 -2.946831
H 4.131431 -1.730174 -4.205519
H -5.902525 -0.856221 -3.994879
H -7.139424 0.172703 -3.451211
H 1.670984 4.648823 4.989871
H 3.119226 -4.970687 -1.734597
H 4.130281 -3.631850 -1.111666


