%chk=000239939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239939

0 1
O 3.124568 0.648865 0.676042
O -1.251449 -0.420570 1.885168
O -4.049763 -1.950496 -0.315514
O -0.516171 -1.393510 -0.035382
N -2.537463 -1.012067 1.739153
C 0.950620 0.081067 1.268373
C 2.156046 -0.423721 0.478214
C -3.399342 -0.125897 0.990107
C -4.230407 -0.611434 -0.058130
C 4.362884 0.520587 0.082510
C -0.294156 -0.665778 0.901972
C -3.515314 1.217538 1.372120
C -5.142857 0.227418 -0.704667
C -4.422504 2.059947 0.721815
C -5.228178 1.566140 -0.306985
C 4.771074 -0.552921 -0.716416
C 5.211862 1.611557 0.363216
C 6.067804 -0.525740 -1.245404
C 6.493132 1.608178 -0.177322
C 6.926165 0.542277 -0.981760
C -4.706631 -2.513295 -1.478360
H 1.141051 0.026022 2.364793
H 0.809079 1.173531 1.076426
H 1.939842 -0.523727 -0.601905
H 2.569860 -1.362384 0.883951
H -2.883810 1.594069 2.180511
H -2.421561 -1.922557 1.256318
H -5.778229 -0.142601 -1.502987
H -4.501205 3.102337 1.023818
H -5.934964 2.228035 -0.808418
H 4.116915 -1.389422 -0.933445
H 4.853132 2.424302 0.989064
H 6.404686 -1.352787 -1.870733
H 7.167238 2.440539 0.025648
H 7.930122 0.552226 -1.397616
H -4.388595 -1.991423 -2.385581
H -5.791800 -2.488532 -1.345338
H -4.328981 -3.544973 -1.465656


%chk=000239939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239939

0 1
O 3.462648 1.003744 0.244619
O -1.163335 0.096912 0.857934
O -4.275320 -1.843851 -0.756058
O -0.087394 -1.274005 -0.692455
N -2.325680 -0.816881 0.706042
C 1.103383 0.654984 0.326643
C 2.447192 -0.046102 0.091215
C -3.551201 -0.102453 0.693261
C -4.629258 -0.678817 -0.047381
C 4.811606 0.636631 0.075523
C -0.056104 -0.286973 0.078772
C -3.773603 1.078608 1.435351
C -5.905783 -0.082918 -0.032677
C -5.052742 1.681195 1.438890
C -6.116701 1.102296 0.714566
C 5.248703 -0.670788 -0.251521
C 5.748625 1.684218 0.254601
C 6.634531 -0.916881 -0.398152
C 7.124337 1.421610 0.104662
C 7.577205 0.119178 -0.222670
C -5.305187 -2.476312 -1.581360
H 1.046481 1.067013 1.347372
H 1.021194 1.509900 -0.371954
H 2.485358 -0.484187 -0.924713
H 2.613237 -0.852522 0.833511
H -2.943359 1.519046 1.993811
H -2.157102 -1.446413 -0.101539
H -6.732112 -0.523768 -0.598562
H -5.213381 2.599685 2.012860
H -7.109010 1.564986 0.724001
H 4.537472 -1.489638 -0.394936
H 5.379503 2.683049 0.507244
H 6.972233 -1.928141 -0.651735
H 7.845332 2.234880 0.243902
H 8.647375 -0.081489 -0.338163
H -5.678278 -1.780749 -2.357808
H -6.149665 -2.829577 -0.959047
H -4.808499 -3.334671 -2.056451


