%chk=000236446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236446

0 1
O -7.189679 0.316740 0.710832
O 4.606575 3.318311 -0.140949
O 5.118794 -2.973675 0.267595
N -0.707433 -0.248445 -0.278697
N -3.602598 -0.009940 -0.212554
N 3.025144 0.027676 0.144717
C -1.393938 0.655282 0.702555
C -1.526093 -0.337561 -1.532725
C -2.783228 0.079878 1.041661
C -2.916819 -0.913020 -1.195415
C 0.680373 0.231923 -0.578528
C 1.615399 -0.302764 0.529181
C -4.987335 -0.494759 0.084776
C 3.391006 1.428049 0.518015
C 3.996081 -0.964126 0.701202
C -5.828059 0.722353 0.512223
C 4.376946 1.949300 -0.540142
C 4.108850 -2.117255 -0.309295
H -0.779862 0.699109 1.626970
H -1.502516 1.696595 0.326806
H -1.642327 0.643640 -2.043028
H -1.010276 -1.023135 -2.238426
H -3.299833 0.761206 1.750257
H -2.666831 -0.901919 1.551340
H -2.808030 -1.954444 -0.820957
H -3.528854 -0.951376 -2.121422
H 0.760214 1.335973 -0.662201
H 1.017493 -0.175400 -1.557408
H 1.324286 0.101709 1.520710
H 1.491207 -1.406906 0.600348
H -5.034795 -1.281217 0.867982
H -5.434487 -0.946609 -0.826070
H 2.492126 2.084385 0.520270
H 3.836345 1.527985 1.530986
H 5.001874 -0.506589 0.833618
H 3.716826 -1.362822 1.699938
H -5.538837 1.108897 1.506456
H -5.780806 1.538393 -0.229509
H 3.941534 1.934859 -1.554165
H 5.334614 1.402622 -0.534144
H 4.450762 -1.768652 -1.298974
H 3.167907 -2.682811 -0.414324
H -7.606481 0.078858 -0.138716
H 5.253988 3.737002 -0.735991
H 5.242171 -3.765917 -0.285099


%chk=000236446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236446

0 1
O -7.222960 0.530813 0.856489
O 4.507828 3.423647 0.058153
O 5.303876 -2.986565 0.231033
N -0.727481 -0.334992 -0.321134
N -3.615620 -0.020161 -0.228606
N 3.038150 -0.010807 0.232410
C -1.370125 0.626763 0.609543
C -1.562619 -0.495321 -1.537472
C -2.781476 0.149923 0.987920
C -2.971282 -0.981386 -1.158355
C 0.683223 0.006004 -0.626553
C 1.644528 -0.441691 0.497567
C -5.024538 -0.358771 0.079017
C 3.320170 1.398859 0.591421
C 4.067789 -0.972255 0.692267
C -5.838532 0.883532 0.499614
C 4.255754 2.056655 -0.432117
C 4.305072 -2.072576 -0.351389
H -0.759399 0.712172 1.526442
H -1.445422 1.644993 0.149116
H -1.657603 0.465341 -2.105003
H -1.084309 -1.240635 -2.200109
H -3.250581 0.899132 1.650849
H -2.697885 -0.810274 1.557553
H -2.885652 -2.001265 -0.704963
H -3.589650 -1.060695 -2.072252
H 0.813291 1.100673 -0.822164
H 0.981496 -0.516298 -1.554172
H 1.279986 -0.070441 1.485559
H 1.612393 -1.544468 0.551092
H -5.117644 -1.135194 0.878084
H -5.481430 -0.784664 -0.837602
H 2.373672 1.968296 0.606956
H 3.773215 1.499071 1.604556
H 5.021859 -0.437927 0.851123
H 3.802759 -1.450602 1.663251
H -5.432245 1.335112 1.419166
H -5.801185 1.641074 -0.309596
H 3.764803 2.063845 -1.427192
H 5.203670 1.481650 -0.510036
H 4.671969 -1.612883 -1.292380
H 3.355203 -2.607251 -0.567474
H -7.682389 0.178802 0.052664
H 5.111294 3.894032 -0.569126
H 5.489421 -3.721862 -0.404453


