%chk=000196883.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196883

0 1
O -6.482123 0.905042 -0.577318
N -0.438301 -0.559193 0.997245
N 2.233310 -0.039271 0.012461
N 3.413646 2.026494 -0.473876
N 4.707079 -1.420159 0.085700
C -0.162846 -0.400104 -0.469300
C 0.769579 -1.124191 1.687162
C 1.032426 0.550357 -0.670892
C 1.963850 -0.171133 1.487437
C -1.625990 -1.448864 1.227464
C 3.462111 0.696233 -0.233482
C -2.889622 -0.802426 0.707233
C 4.695769 -0.051767 -0.269136
C -3.784131 -1.556197 -0.064856
C -3.182406 0.529530 1.027706
C -4.978514 -0.987010 -0.527248
C -4.366279 1.127694 0.578414
C -5.249821 0.355605 -0.201225
C 5.869790 0.665174 -0.559090
C 4.567682 2.686845 -0.765089
C 5.807017 2.039986 -0.805708
C -5.940244 -1.788830 -1.338389
C -4.684065 2.542654 0.926531
C 5.816876 -2.268261 -0.445279
C 5.435918 -3.744054 -0.369493
C -6.438410 1.585464 -1.857368
H -1.066023 0.047462 -0.941135
H 0.030582 -1.367715 -0.979743
H 1.036970 -2.142211 1.330415
H 0.545820 -1.199876 2.773178
H 1.258753 0.655346 -1.752579
H 0.783276 1.566678 -0.289275
H 1.746327 0.813482 1.959322
H 2.866768 -0.585063 1.984905
H -1.737547 -1.588815 2.329681
H -1.495464 -2.465336 0.794420
H -3.558732 -2.591359 -0.308969
H -2.469749 1.103524 1.622939
H 6.833133 0.161370 -0.587086
H 3.785571 -1.870699 -0.001188
H 4.467490 3.758286 -0.959618
H -6.919322 -1.286942 -1.411425
H -5.568458 -1.945208 -2.359466
H -6.119319 -2.777513 -0.895205
H -5.743465 2.777463 0.734677
H -4.494588 2.750890 1.988539
H -4.073021 3.243363 0.341555
H 6.713897 2.597334 -1.028069
H 6.084098 -1.996851 -1.491862
H 6.716579 -2.073061 0.183992
H 5.161261 -4.039723 0.652115
H 4.589673 -3.988294 -1.022879
H 6.276643 -4.379090 -0.674859
H -7.468051 1.942781 -1.966919
H -6.175720 0.880391 -2.650279
H -5.731184 2.418270 -1.819388


%chk=000196883-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196883

0 1
O -6.597210 0.971584 -0.263918
N -0.362571 -0.745271 0.638886
N 2.282804 0.088268 -0.171132
N 3.493268 2.064305 -0.805818
N 4.674371 -1.341677 0.035503
C -0.072586 -0.344084 -0.760307
C 0.842006 -1.307524 1.288942
C 1.076040 0.675266 -0.809067
C 1.995448 -0.293301 1.245664
C -1.544296 -1.630763 0.753808
C 3.518314 0.771674 -0.399146
C -2.857134 -0.922273 0.430504
C 4.746219 0.021400 -0.253126
C -3.892053 -1.603381 -0.249968
C -3.082048 0.405587 0.864928
C -5.141093 -0.987421 -0.510776
C -4.310292 1.063805 0.622841
C -5.326518 0.350115 -0.070614
C 5.963573 0.722797 -0.449491
C 4.679698 2.708630 -1.032493
C 5.926681 2.085599 -0.832203
C -6.251791 -1.730882 -1.229900
C -4.548550 2.485129 1.098740
C 5.850895 -2.219073 0.025643
C 5.444444 -3.670771 0.329899
C -6.718755 1.711599 -1.530480
H -0.982947 0.109819 -1.190692
H 0.198062 -1.233906 -1.385424
H 1.177513 -2.256658 0.791604
H 0.601371 -1.543929 2.342954
H 1.320816 0.935563 -1.852081
H 0.771254 1.610863 -0.294586
H 1.706509 0.610193 1.827440
H 2.902516 -0.725392 1.701611
H -1.574884 -1.993360 1.801958
H -1.451453 -2.541289 0.106745
H -3.730232 -2.637314 -0.583394
H -2.272897 0.925802 1.390864
H 6.923166 0.207555 -0.343759
H 3.759053 -1.763271 -0.156928
H 4.606149 3.747394 -1.371907
H -7.239547 -1.412753 -0.855963
H -6.234625 -1.534102 -2.320309
H -6.150959 -2.821413 -1.092614
H -5.601973 2.628511 1.393152
H -3.898332 2.727008 1.956755
H -4.327424 3.222578 0.301847
H 6.854762 2.643282 -0.994543
H 6.377882 -2.172653 -0.955300
H 6.572447 -1.868828 0.791084
H 4.958211 -3.743420 1.319335
H 4.741327 -4.056289 -0.432338
H 6.331263 -4.327908 0.332105
H -7.735976 2.133582 -1.538066
H -6.587027 1.039280 -2.401416
H -5.974389 2.530219 -1.589655


