%chk=000214586.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214586

0 1
O 3.140665 -0.507116 0.860551
O -2.077383 2.576875 -0.174270
O 2.139735 -2.683202 -0.984315
O 0.627468 -3.346002 0.567234
N 1.741364 1.264612 0.531470
N -0.607952 0.842275 -0.119920
C 0.532976 1.832271 -0.125823
C 2.887500 2.235461 0.615371
C 0.853598 2.262669 -1.573764
C 3.218382 2.772938 -0.795382
C 1.988375 3.295301 -1.547670
C 2.561267 3.347833 1.612650
C 2.049267 -0.120052 0.484628
C -0.325901 -0.530790 -0.136111
C 0.927922 -0.999515 0.080557
C -1.944990 1.376130 -0.091312
C 1.190439 -2.452643 -0.024496
C -3.058441 0.393536 0.036303
C -3.213316 -0.354860 1.211831
C -3.982335 0.277576 -1.011171
C -4.292849 -1.233479 1.330220
C -5.056420 -0.607822 -0.886053
C 2.661455 -4.047525 -1.113234
C -5.211096 -1.362252 0.281872
C 3.631762 -4.318837 0.016003
H 0.199043 2.727059 0.481653
H 3.776125 1.655101 1.000933
H -0.048644 2.694293 -2.048569
H 1.141525 1.388731 -2.188532
H 3.695263 1.961727 -1.382541
H 3.978711 3.572229 -0.714870
H 1.631197 4.235653 -1.082746
H 2.270844 3.560844 -2.585017
H 2.213660 2.930744 2.567828
H 3.451886 3.950416 1.825482
H 1.784099 4.029725 1.251230
H -1.170168 -1.211542 -0.338458
H -2.499082 -0.251188 2.030821
H -3.867162 0.878855 -1.914190
H -4.417514 -1.820174 2.241017
H -5.776367 -0.705863 -1.698513
H 1.811129 -4.750881 -1.130827
H 3.147887 -3.984850 -2.103502
H -6.051008 -2.051610 0.377101
H 4.253953 -5.197387 -0.181849
H 4.299930 -3.457867 0.176562
H 3.105701 -4.484499 0.967718


%chk=000214586-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214586

0 1
O 3.286782 -0.373205 0.784195
O -2.087922 2.516749 -0.519844
O 2.686969 -2.677560 -0.740932
O 0.458073 -3.286187 -0.414528
N 1.736975 1.330396 0.395711
N -0.544825 0.801493 -0.263578
C 0.535846 1.827301 -0.310015
C 2.776624 2.381591 0.627206
C 0.907525 2.286008 -1.740893
C 3.186546 2.965828 -0.758881
C 1.970953 3.409306 -1.615421
C 2.314971 3.443974 1.646710
C 2.152815 -0.014408 0.341023
C -0.179357 -0.535228 -0.366566
C 1.116393 -0.959742 -0.177525
C -1.882752 1.287226 -0.287232
C 1.365527 -2.407501 -0.425200
C -3.005513 0.335888 -0.005718
C -2.923024 -0.696063 0.967920
C -4.238268 0.570439 -0.671473
C -4.052517 -1.494149 1.249973
C -5.359004 -0.238506 -0.398174
C 3.042388 -4.115882 -0.943762
C -5.268019 -1.275062 0.561935
C 3.362724 -4.780831 0.398071
H 0.142368 2.704675 0.232265
H 3.636149 1.834920 1.052576
H 0.005416 2.661614 -2.254585
H 1.309727 1.427074 -2.312466
H 3.750759 2.184462 -1.304330
H 3.874328 3.819392 -0.606855
H 1.493955 4.303761 -1.166488
H 2.316142 3.711057 -2.621504
H 1.977042 2.959757 2.579317
H 3.163460 4.107555 1.892608
H 1.495567 4.084104 1.272072
H -0.957329 -1.256122 -0.631138
H -1.996255 -0.861088 1.527490
H -4.299414 1.394898 -1.389216
H -3.982357 -2.283087 2.005932
H -6.302166 -0.059734 -0.925255
H 2.205401 -4.621237 -1.457569
H 3.924712 -4.067658 -1.601474
H -6.140536 -1.901301 0.778034
H 3.730320 -5.809806 0.226002
H 4.142782 -4.214796 0.934616
H 2.462519 -4.837418 1.032863


