%chk=000195105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195105

0 1
O 0.492270 0.144035 -1.419523
O 2.533178 1.981725 0.554185
O -4.220086 1.743203 0.991680
O -5.246412 -2.291329 -1.881372
N 4.400854 -0.116296 1.235410
C 2.417665 0.655779 0.005532
C 3.813177 0.009085 -0.129444
C 3.974695 -1.345189 1.977089
C 1.734891 0.883926 -1.352281
C -0.616259 0.649376 -0.758722
C -1.806266 -0.111775 -1.053020
C 4.438268 -1.188358 3.431201
C 4.524726 -2.645391 1.368734
C -3.022876 0.281691 -0.440692
C -0.621421 1.730658 0.090159
C -2.993667 1.425091 0.439528
C -1.794566 -1.236929 -1.934340
C -4.216733 -0.441999 -0.702539
C -1.841900 2.129097 0.701090
C -2.943833 -1.939818 -2.191359
C -4.154403 -1.522418 -1.559555
H 1.760606 0.061971 0.684237
H 4.467329 0.669801 -0.740158
H 3.729895 -0.956346 -0.673521
H 2.852854 -1.381687 1.954681
H 5.422943 -0.071708 1.176758
H 2.281107 0.446200 -2.207337
H 1.559130 1.962095 -1.535204
H 4.041401 -1.993537 4.058394
H 5.529128 -1.204683 3.524640
H 4.090981 -0.236131 3.853484
H 4.187173 -2.786225 0.336613
H 4.186655 -3.518357 1.938870
H 5.619060 -2.670029 1.367347
H 0.287557 2.291134 0.322823
H -0.843954 -1.517736 -2.395992
H 3.137534 1.964155 1.336483
H -5.137734 -0.121038 -0.220807
H -1.835436 2.987007 1.367759
H -2.971220 -2.800322 -2.856734
H -4.153524 2.531643 1.582219
H -6.068988 -1.974869 -1.430616


%chk=000195105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195105

0 1
O 0.271795 -0.227904 -1.328521
O 2.218049 1.201132 1.071867
O -4.456460 1.932337 0.901816
O -5.869316 -1.656004 -2.467642
N 4.540218 -0.045229 1.197749
C 2.312399 0.074899 0.141377
C 3.831431 -0.190750 -0.096842
C 4.529462 -1.219028 2.123758
C 1.592647 0.398449 -1.183017
C -0.849472 0.372286 -0.713773
C -2.121064 -0.140547 -1.160288
C 5.008176 -0.757488 3.514800
C 5.372470 -2.413466 1.607671
C -3.336501 0.400137 -0.595452
C -0.778764 1.375933 0.256327
C -3.232739 1.440029 0.390577
C -2.226027 -1.172075 -2.149625
C -4.604150 -0.101167 -1.027084
C -1.985747 1.911237 0.803342
C -3.468013 -1.652576 -2.562289
C -4.660799 -1.110734 -1.992680
H 1.836361 -0.828600 0.580621
H 4.225846 0.583766 -0.782341
H 3.967770 -1.179122 -0.586156
H 3.472887 -1.540902 2.206671
H 5.487596 0.341490 1.095241
H 2.157404 -0.022949 -2.034455
H 1.523968 1.498313 -1.295390
H 4.977399 -1.592650 4.236932
H 6.052729 -0.391614 3.469385
H 4.372638 0.060670 3.895543
H 5.056093 -2.732035 0.597841
H 5.270528 -3.284731 2.280316
H 6.444675 -2.141018 1.564458
H 0.185335 1.724368 0.638518
H -1.304695 -1.576026 -2.577239
H 3.093359 1.135613 1.582819
H -5.511007 0.325358 -0.583568
H -1.915370 2.698094 1.565852
H -3.559261 -2.439378 -3.316800
H -4.286807 2.640828 1.570081
H -6.641244 -1.223447 -2.024703


