%chk=000281045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281045

0 1
O -4.801286 -0.931615 0.396638
O -0.059924 -0.887155 -2.050762
N -1.984749 -0.630501 -0.031167
C -0.532498 -0.488396 0.355966
C 0.260288 -1.311896 -0.715090
C -2.834918 0.539368 0.362791
C -2.557637 -1.888960 0.558832
C -0.086217 0.957361 0.442819
C -4.270205 0.300587 -0.132279
C -3.992487 -2.068600 0.038096
C 1.757340 -1.180455 -0.548832
C 0.080800 1.538807 1.710189
C 0.160807 1.724093 -0.705066
C 2.534057 -0.533878 -1.518774
C 2.373214 -1.735561 0.583405
C 0.487399 2.870987 1.823740
C 0.567589 3.055234 -0.587086
C 0.729715 3.632494 0.676324
C 3.918622 -0.436187 -1.354298
C 3.757289 -1.632550 0.744176
C 4.531789 -0.982772 -0.222895
H -0.326452 -0.970918 1.351600
H -0.038058 -2.388103 -0.649558
H -2.429176 1.456089 -0.121174
H -2.834170 0.720769 1.458987
H -2.564466 -1.876683 1.670558
H -1.933884 -2.750730 0.239044
H -4.975589 1.051909 0.264757
H -4.324429 0.269216 -1.234709
H -4.018883 -2.200352 -1.057968
H -4.516222 -2.902361 0.537838
H -0.099899 0.955367 2.610654
H 0.049354 1.266775 -1.693276
H -1.042247 -0.767534 -2.123409
H 2.046661 -0.114547 -2.402311
H 1.781020 -2.247071 1.338064
H 0.618430 3.315041 2.808931
H 0.762729 3.642496 -1.482934
H 1.047819 4.669033 0.766333
H 4.519003 0.067624 -2.109725
H 4.233825 -2.060061 1.624215
H 5.609249 -0.903963 -0.094744


%chk=000281045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281045

0 1
O -4.904089 -0.951876 0.167359
O -0.257904 -1.165189 -1.878413
N -2.007527 -0.590459 0.013279
C -0.565795 -0.487045 0.467838
C 0.253005 -1.405684 -0.532237
C -2.910440 0.505307 0.478594
C -2.619646 -1.910143 0.367921
C -0.077537 0.955998 0.518668
C -4.293842 0.345597 -0.169498
C -4.013524 -2.035962 -0.268921
C 1.761169 -1.212121 -0.471130
C 0.212400 1.547059 1.773309
C 0.096448 1.734969 -0.656293
C 2.482011 -0.733873 -1.589804
C 2.464459 -1.548113 0.713351
C 0.658575 2.884981 1.862861
C 0.540776 3.071807 -0.569753
C 0.820588 3.654513 0.688807
C 3.885090 -0.578232 -1.519729
C 3.865395 -1.387792 0.785837
C 4.581891 -0.900344 -0.332642
H -0.457725 -0.917356 1.490372
H 0.042948 -2.462710 -0.248641
H -2.481725 1.479503 0.193702
H -3.019689 0.487677 1.588212
H -2.705134 -2.015304 1.475121
H -1.981024 -2.728849 -0.007548
H -4.994106 1.107601 0.210034
H -4.202623 0.441343 -1.273564
H -3.918054 -2.024575 -1.376836
H -4.505646 -2.970607 0.046819
H 0.091636 0.954276 2.688916
H -0.097742 1.280580 -1.633403
H -1.214453 -0.879819 -1.697642
H 1.929549 -0.502040 -2.504726
H 1.920110 -1.938897 1.583366
H 0.880274 3.322943 2.842539
H 0.676363 3.658414 -1.485586
H 1.166773 4.692288 0.752350
H 4.434655 -0.208838 -2.393308
H 4.397800 -1.647034 1.708195
H 5.669915 -0.779591 -0.279879


