%chk=000261339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261339

0 1
O 0.621759 -2.842727 0.555185
O 3.337096 0.214404 2.135886
O 1.482347 -1.902366 -1.318108
O 4.030498 -1.210841 0.516087
N -0.425549 0.326990 0.085370
N -3.313018 0.640580 -0.011067
C 0.964765 0.592321 0.601024
C -1.060182 1.555881 -0.497346
C -1.310027 -0.209452 1.176376
C -2.435611 1.191582 -1.089973
C -2.686190 -0.577985 0.587677
C 1.630667 -0.789253 0.904380
C 1.786425 1.413283 -0.377667
C -4.716285 0.608162 -0.253275
C 1.281063 -1.843016 -0.135106
C 3.129335 -0.657790 1.090274
C 1.996640 1.005377 -1.701324
C 2.350804 2.618203 0.072784
C -5.556843 -0.240293 0.505406
C -5.308856 1.512391 -1.166254
C 2.765178 1.791886 -2.564330
C 3.116393 3.402496 -0.792933
C 3.325124 2.990618 -2.113551
C -6.940441 -0.172702 0.354511
C -6.694490 1.563698 -1.301741
C -7.520377 0.723334 -0.548565
C 0.188853 -4.022774 -0.194863
C 4.721652 0.510221 2.513829
C 1.376361 -4.920749 -0.468576
C 5.297567 -0.641841 3.308585
H 0.941564 1.139525 1.587869
H -1.172443 2.372887 0.248500
H -0.414782 1.942299 -1.317910
H -0.847989 -1.135384 1.588886
H -1.440341 0.507813 2.015979
H -2.900883 2.110007 -1.515419
H -2.308613 0.464855 -1.924264
H -2.570505 -1.389640 -0.165792
H -3.336430 -0.968968 1.403313
H 1.216556 -1.146007 1.897133
H 1.563739 0.062693 -2.058915
H 2.200559 2.942449 1.101506
H -5.129995 -0.938845 1.221748
H -4.687736 2.182747 -1.756765
H 2.930664 1.462487 -3.589350
H 3.551885 4.334765 -0.438782
H 3.924375 3.600681 -2.786813
H -7.576354 -0.829059 0.948382
H -7.137899 2.267715 -2.005848
H -8.598793 0.767419 -0.662651
H -0.310909 -3.682931 -1.119615
H -0.539359 -4.462538 0.509928
H 4.577359 1.427948 3.112554
H 5.295317 0.724633 1.594126
H 1.067913 -5.872519 -0.915798
H 1.935842 -5.144794 0.448645
H 2.083505 -4.442756 -1.165406
H 6.278733 -0.388820 3.727909
H 5.431519 -1.533337 2.676105
H 4.642243 -0.929661 4.140251


%chk=000261339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261339

0 1
O 0.473343 -2.862580 0.573049
O 3.498944 0.150084 2.032441
O 1.407358 -1.908538 -1.334052
O 3.987551 -1.442260 0.395066
N -0.407942 0.430878 0.183687
N -3.312238 0.631901 -0.016789
C 1.012951 0.627594 0.622276
C -1.045995 1.615307 -0.442734
C -1.282106 -0.021879 1.296503
C -2.417668 1.241973 -1.025779
C -2.671094 -0.432164 0.781952
C 1.633123 -0.804553 0.901089
C 1.826586 1.503117 -0.334387
C -4.704901 0.560212 -0.272458
C 1.187040 -1.867418 -0.107436
C 3.156520 -0.763434 1.032993
C 2.201748 1.081159 -1.636472
C 2.212346 2.796646 0.101218
C -5.559457 -0.312265 0.474844
C -5.325845 1.376676 -1.271046
C 2.938436 1.943512 -2.479093
C 2.947640 3.659608 -0.741475
C 3.312371 3.234682 -2.039815
C -6.952066 -0.333705 0.257230
C -6.719494 1.343824 -1.478218
C -7.553850 0.494760 -0.716292
C -0.001783 -4.016516 -0.255752
C 4.963313 0.334146 2.290719
C 1.102007 -5.068314 -0.394124
C 5.469687 -0.703508 3.295729
H 1.041151 1.144071 1.612045
H -1.174621 2.445206 0.297119
H -0.410772 1.986480 -1.261970
H -0.841433 -0.905242 1.787732
H -1.394364 0.786949 2.062839
H -2.872302 2.171157 -1.405879
H -2.269386 0.552133 -1.887223
H -2.573614 -1.369754 0.187260
H -3.291672 -0.654110 1.666061
H 1.257149 -1.133908 1.886127
H 1.930293 0.077878 -1.978710
H 1.937906 3.127786 1.110641
H -5.147976 -0.986690 1.229934
H -4.729236 2.043817 -1.898218
H 3.225309 1.601580 -3.480022
H 3.235404 4.655758 -0.386550
H 3.884109 3.899064 -2.697773
H -7.570103 -1.014502 0.854758
H -7.154103 1.988800 -2.251193
H -8.635484 0.471682 -0.883674
H -0.315978 -3.629812 -1.241052
H -0.872711 -4.395739 0.302611
H 5.027366 1.361676 2.682693
H 5.497629 0.259624 1.327765
H 0.716025 -5.941407 -0.952460
H 1.443772 -5.414694 0.596422
H 1.963996 -4.658083 -0.945574
H 6.530375 -0.501786 3.535197
H 5.399791 -1.720907 2.876163
H 4.890355 -0.660667 4.234258


