%chk=000245408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245408

0 1
O -3.499263 -0.660229 0.868200
O -3.174965 1.596270 0.841419
N 2.806705 -0.425841 -0.274080
C -2.623200 0.369011 1.365047
C -4.057652 -0.232486 -0.404409
C -3.840951 1.299722 -0.410536
C -1.200453 0.162236 0.925847
C 1.488778 -0.231120 0.165990
C -3.352148 -0.953630 -1.538678
C -0.371147 1.260636 0.663557
C -0.682867 -1.134009 0.799135
C 0.955320 1.078833 0.290188
C 0.640882 -1.339526 0.429365
C 3.766422 0.710236 -0.332546
C 3.418694 -1.778558 -0.276962
C 3.821635 1.288150 -1.747698
C 3.897218 -2.222931 1.106095
H -2.769549 0.403834 2.461425
H -5.125771 -0.523316 -0.321505
H -3.188979 1.654475 -1.223656
H -4.771952 1.885043 -0.373775
H -3.441383 -2.041733 -1.421184
H -3.761498 -0.683742 -2.516464
H -2.274046 -0.732393 -1.544543
H -0.782241 2.269764 0.750152
H -1.336938 -1.988515 0.990177
H 1.574313 1.947891 0.088036
H 1.016574 -2.354428 0.339432
H 3.476527 1.504076 0.394440
H 4.777481 0.365122 -0.021379
H 2.675968 -2.507900 -0.678128
H 4.267623 -1.774267 -0.997551
H 2.831944 1.628489 -2.080399
H 4.156369 0.540804 -2.476648
H 4.505555 2.141266 -1.800829
H 3.077215 -2.215110 1.836891
H 4.680275 -1.566224 1.500614
H 4.302206 -3.240202 1.076760


%chk=000245408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245408

0 1
O -3.486625 -0.614392 0.941929
O -3.206961 1.695849 0.601022
N 2.960741 -0.332775 -0.091193
C -2.619385 0.530601 1.287627
C -4.210771 -0.264289 -0.324293
C -3.659254 1.139428 -0.691595
C -1.170137 0.291811 0.880425
C 1.608770 -0.128889 0.223961
C -3.975417 -1.341130 -1.386524
C -0.286271 1.385356 0.707812
C -0.647588 -1.013305 0.723214
C 1.066937 1.189299 0.377895
C 0.707033 -1.227313 0.405410
C 3.915727 0.789085 -0.161157
C 3.497453 -1.682271 -0.349852
C 3.964580 1.481486 -1.544950
C 3.918994 -2.442655 0.931105
H -2.738291 0.726621 2.367922
H -5.283222 -0.205060 -0.057148
H -2.807297 1.056280 -1.396252
H -4.421608 1.826678 -1.088197
H -4.312244 -2.325457 -1.018378
H -4.542320 -1.107117 -2.307875
H -2.902856 -1.411608 -1.638507
H -0.675116 2.405154 0.809595
H -1.318973 -1.868849 0.854270
H 1.698530 2.069280 0.226112
H 1.062847 -2.257590 0.314312
H 3.677283 1.528527 0.626230
H 4.920362 0.395271 0.084658
H 2.753617 -2.274296 -0.915722
H 4.373862 -1.576228 -1.017289
H 2.979150 1.899167 -1.815199
H 4.253304 0.761161 -2.331877
H 4.703732 2.304566 -1.543491
H 3.062865 -2.569171 1.616014
H 4.706749 -1.889261 1.473962
H 4.314499 -3.444265 0.677827


