%chk=000280346.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280346

0 1
O 6.155980 -1.004035 0.464072
O 0.663824 2.179510 -0.342667
O -1.818963 1.274609 1.157288
N -2.350015 -0.436991 -0.331285
N -0.086973 0.063783 0.161492
C 2.312841 0.482384 0.064931
C 3.238574 0.781261 -0.944963
C 2.706425 -0.275642 1.184522
C -3.780586 -0.421650 -0.226979
C 4.917367 -0.462634 0.243887
C 0.938125 1.041679 -0.046281
C 4.547429 0.303202 -0.871714
C 4.003349 -0.756179 1.282575
C -1.476347 0.406306 0.392616
C -4.489203 -1.332847 -1.038452
C -4.465932 0.441730 0.643442
C -5.881939 -1.370196 -0.964002
C -5.859465 0.384823 0.700239
C -6.571912 -0.516498 -0.097168
C 7.198407 -0.750931 -0.512120
H 2.931119 1.397571 -1.794810
H 1.991585 -0.474375 1.986612
H 5.254270 0.535995 -1.661441
H 4.336706 -1.341029 2.137894
H -1.962374 -1.054393 -1.048234
H 0.176371 -0.923432 0.196281
H -3.967409 -2.001007 -1.717539
H -3.920269 1.157999 1.266750
H -6.434281 -2.071820 -1.588814
H -6.393993 1.054735 1.374711
H -7.657284 -0.551943 -0.045233
H 7.402093 0.321684 -0.580644
H 6.924902 -1.181039 -1.479611
H 8.050379 -1.285229 -0.069755


%chk=000280346-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280346

0 1
O 6.146048 -1.266772 0.381843
O 0.822092 2.274649 -0.684233
O -1.819917 1.739385 0.623565
N -2.399199 -0.333937 -0.347125
N -0.145093 0.216672 -0.093317
C 2.304254 0.438845 -0.119845
C 3.417644 1.045300 -0.752857
C 2.523294 -0.715473 0.684472
C -3.811821 -0.374969 -0.158342
C 4.911720 -0.647571 0.173507
C 0.960873 1.079787 -0.312106
C 4.714070 0.513569 -0.619681
C 3.810930 -1.255338 0.832103
C -1.502224 0.647646 0.096262
C -4.501602 -1.504790 -0.676341
C -4.535950 0.645394 0.513888
C -5.897776 -1.618031 -0.522359
C -5.933370 0.512442 0.664535
C -6.624345 -0.609642 0.152940
C 7.328668 -0.670334 -0.251159
H 3.242748 1.948495 -1.346868
H 1.699620 -1.172760 1.246275
H 5.551792 1.001868 -1.125715
H 3.995991 -2.131597 1.460253
H -2.013827 -1.080011 -0.930924
H 0.050911 -0.784633 -0.026619
H -3.944897 -2.295047 -1.197766
H -4.006777 1.520933 0.893652
H -6.416122 -2.493700 -0.928331
H -6.486154 1.303154 1.184072
H -7.709212 -0.696440 0.273913
H 7.496389 0.362593 0.108919
H 7.235892 -0.672627 -1.354063
H 8.168151 -1.311659 0.053055


