%chk=000206217.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206217

0 1
O 3.819791 3.351129 -1.193160
O -1.333044 0.596464 0.728990
O -3.362233 -2.584302 -0.980265
O 3.610417 -2.027539 -0.715273
O 3.408510 -1.343597 1.327360
N 2.321325 1.301956 0.094965
N 2.957247 -1.648493 0.236559
C 1.396129 0.723230 1.121378
C 1.636235 2.351870 -0.725780
C 3.565197 1.850779 0.726778
C 0.746853 -0.486616 0.495835
C 2.618819 2.838293 -1.803902
C 4.491000 2.357466 -0.390879
C -0.656173 -0.537285 0.291900
C 1.471377 -1.599701 0.065461
C -1.297459 -1.633166 -0.294001
C 0.860074 -2.712344 -0.544404
C -0.517976 -2.727096 -0.716143
C -2.777019 -1.648218 -0.479424
C -3.448233 -0.423400 0.003398
C -2.717263 0.625716 0.575766
C -4.846730 -0.273231 -0.097004
C -3.316499 1.805807 1.047093
C -5.462997 0.885759 0.362374
C -4.698599 1.920622 0.932409
H 0.627196 1.440261 1.488821
H 1.967999 0.395296 2.025692
H 1.286234 3.215238 -0.119966
H 0.742253 1.895711 -1.202262
H 4.065101 1.022951 1.282260
H 3.362205 2.668357 1.449790
H 2.887902 2.030378 -2.507584
H 2.235706 3.715856 -2.352838
H 5.356537 2.915970 0.005950
H 4.830874 1.534518 -1.045226
H 1.473685 -3.549490 -0.889734
H -1.021037 -3.582180 -1.183574
H -5.428691 -1.087261 -0.542733
H -2.706398 2.592892 1.485185
H -6.543890 0.997549 0.282778
H -5.197025 2.824751 1.289110


%chk=000206217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206217

0 1
O 4.272390 3.083399 -1.267200
O -1.524696 0.660522 0.826032
O -3.431015 -2.585633 -1.044355
O 3.593820 -1.558759 -1.008917
O 3.364068 -1.207937 1.238703
N 2.417468 1.396304 0.156941
N 2.886934 -1.313303 0.041004
C 1.316857 0.946935 1.037059
C 1.973715 2.188482 -1.014508
C 3.569379 2.006111 0.859820
C 0.639168 -0.269409 0.421179
C 3.160920 2.417808 -1.965560
C 4.714284 2.241492 -0.140979
C -0.766492 -0.395449 0.292210
C 1.405782 -1.324484 -0.112409
C -1.380118 -1.507539 -0.350757
C 0.844570 -2.441874 -0.775023
C -0.550170 -2.526688 -0.883978
C -2.859918 -1.601253 -0.475986
C -3.612039 -0.464739 0.108757
C -2.929473 0.615034 0.730510
C -5.031989 -0.425458 0.062365
C -3.621451 1.707477 1.294757
C -5.736828 0.653788 0.618166
C -5.027267 1.721287 1.235148
H 0.562377 1.738416 1.230064
H 1.757011 0.656138 2.008334
H 1.553393 3.174995 -0.699153
H 1.176808 1.633600 -1.546055
H 3.910106 1.305084 1.645347
H 3.294230 2.974404 1.343945
H 3.503220 1.442948 -2.374012
H 2.881840 3.091727 -2.792005
H 5.545851 2.789613 0.330929
H 5.077732 1.264540 -0.523852
H 1.501327 -3.213027 -1.185700
H -1.038936 -3.371208 -1.379252
H -5.543551 -1.264801 -0.420007
H -3.055326 2.516220 1.765376
H -6.830303 0.676792 0.579165
H -5.576277 2.563346 1.669601


