%chk=000259265.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259265

0 1
O 5.277127 -1.383028 0.383622
O 3.781342 -2.603307 -0.589933
N -1.390617 -0.487847 -0.517202
N 4.160785 -1.560626 -0.078788
C -2.500008 -1.541224 1.510052
C -2.282607 -2.834671 -0.901951
C -2.008552 -2.994693 1.644374
C -3.788098 -1.473677 0.670560
C -1.892778 -3.719599 0.296408
C -3.664710 -2.194193 -0.683026
C -1.389926 -0.605843 0.974317
C -1.186250 -1.790609 -1.226665
C -0.413848 0.529006 -0.992417
C 1.027089 0.436798 -0.479974
C -0.816749 1.934385 -0.546301
C 1.418794 1.672027 0.127917
C 0.279591 2.597502 0.080326
C 1.908754 -0.620296 -0.553963
C -2.035025 2.572693 -0.703153
C 2.696625 1.839077 0.648281
C 0.150548 3.903891 0.533156
C 3.203095 -0.439073 -0.014564
C -2.160702 3.894837 -0.239182
C 3.598749 0.767910 0.574701
C -1.086203 4.550212 0.365110
H -2.744929 -1.174325 2.540434
H -2.353160 -3.500412 -1.800934
H -2.709602 -3.548092 2.298664
H -1.034755 -3.014001 2.167847
H -4.051143 -0.412102 0.498712
H -4.620858 -1.912651 1.250121
H -0.864557 -4.103557 0.161187
H -2.545503 -4.614029 0.304190
H -4.441694 -2.977000 -0.758932
H -3.863845 -1.475328 -1.500978
H -1.569896 0.418051 1.376505
H -0.405276 -0.935362 1.371901
H -0.185816 -2.235077 -1.023009
H -1.226377 -1.573785 -2.318365
H -0.400835 0.501503 -2.117063
H 1.631822 -1.579162 -1.006287
H -2.876787 2.056470 -1.163987
H 2.997533 2.779744 1.106329
H 0.982655 4.418764 1.007842
H -3.113521 4.411371 -0.354893
H 4.613257 0.868269 0.977092
H -1.204440 5.575254 0.714022


%chk=000259265-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259265

0 1
O 5.600044 -1.100100 0.368441
O 4.059479 -2.521830 -0.532448
N -1.237543 -0.626975 -0.412978
N 4.409410 -1.368304 -0.060767
C -2.505286 -1.616567 1.553655
C -2.423377 -2.807939 -0.941868
C -2.195028 -3.137884 1.614460
C -3.786971 -1.356463 0.718804
C -2.240213 -3.824191 0.214238
C -3.710530 -1.971165 -0.720364
C -1.302441 -0.760851 1.058636
C -1.174710 -1.899155 -1.163655
C -0.341192 0.440028 -0.905386
C 1.135780 0.447182 -0.441084
C -0.789985 1.852942 -0.510679
C 1.479919 1.728035 0.096796
C 0.290948 2.597046 0.044884
C 2.089484 -0.576021 -0.505045
C -2.060909 2.430935 -0.653396
C 2.787572 1.988360 0.567450
C 0.109955 3.939322 0.447686
C 3.389979 -0.298681 -0.011774
C -2.246281 3.775949 -0.245843
C 3.752494 0.963090 0.517103
C -1.168431 4.523470 0.295837
H -2.694999 -1.283980 2.595494
H -2.543689 -3.394519 -1.876265
H -2.931899 -3.618674 2.286827
H -1.205033 -3.282930 2.088932
H -3.964129 -0.266478 0.654497
H -4.647640 -1.788483 1.266898
H -1.321650 -4.417499 0.041102
H -3.083878 -4.540677 0.174596
H -4.586552 -2.626433 -0.895211
H -3.752855 -1.165482 -1.476158
H -1.398321 0.262410 1.468824
H -0.361329 -1.194106 1.481222
H -0.261440 -2.500971 -0.924175
H -1.112775 -1.633780 -2.237396
H -0.350831 0.362694 -2.014182
H 1.878321 -1.564243 -0.919816
H -2.890023 1.843734 -1.062473
H 3.056916 2.970938 0.968301
H 0.936166 4.520507 0.872092
H -3.230516 4.246257 -0.349226
H 4.774892 1.113176 0.873223
H -1.332206 5.562497 0.602292


