%chk=000198810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198810

0 1
O -8.773836 -0.211000 -1.259005
O -9.799253 -1.455763 0.962943
N -8.292773 -0.155360 0.070634
N -8.812954 -0.774961 1.096078
C 3.074831 0.544166 -0.045087
C 1.796843 -0.305550 -0.045611
C 4.332573 -0.334555 -0.080528
C 0.539130 0.573196 -0.010168
C 5.610694 0.514973 -0.079995
C -0.738587 -0.276896 -0.010795
C 6.868443 -0.363995 -0.115524
C -1.996292 0.601863 0.024751
C 8.146068 0.485062 -0.114198
C -3.273116 -0.249420 0.024023
C 9.424215 -0.379182 -0.171369
C -4.530820 0.629587 0.059805
C -5.802857 -0.226341 0.058034
C 9.659464 -1.118650 1.152083
C 10.637379 0.497253 -0.514415
C -7.053367 0.663607 0.099481
H 3.071125 1.230410 -0.913805
H 3.095022 1.193396 0.851415
H 1.801384 -0.991888 0.823088
H 1.777511 -0.954889 -0.942105
H 4.336899 -1.020832 0.788148
H 4.313051 -0.983839 -0.977007
H 0.559451 1.222333 0.886447
H 0.535619 1.259453 -0.878930
H 5.606750 1.201507 -0.948378
H 5.631128 1.164014 0.816573
H -0.757485 -0.926220 -0.907426
H -0.733592 -0.963436 0.857869
H 6.848937 -1.013243 -1.011948
H 6.872226 -1.050230 0.753726
H -1.999331 1.288075 -0.844189
H -1.975431 1.250822 0.921602
H 8.130638 1.176790 -0.978411
H 8.170835 1.130945 0.783424
H -3.291447 -0.898770 -0.873010
H -3.267297 -0.936513 0.892645
H 9.302764 -1.139698 -0.982658
H -4.532270 1.315160 -0.810462
H -4.508502 1.277251 0.958202
H -5.798858 -0.920267 0.922885
H -5.828938 -0.872274 -0.843575
H 9.804890 -0.421188 1.983837
H 10.548238 -1.755722 1.099388
H 8.808410 -1.759025 1.407729
H 10.793777 1.281602 0.233713
H 11.555903 -0.097485 -0.558980
H 10.516941 0.987091 -1.486042
H -7.069890 1.292516 1.019796
H -7.079071 1.352449 -0.780148
H -9.607773 -0.788928 -1.247949


%chk=000198810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198810

0 1
O -8.708750 -0.884564 -1.107857
O -10.296874 -0.985635 0.831341
N -8.432703 -0.100916 0.059365
N -9.294563 -0.172023 1.103586
C 3.108815 0.549215 -0.068569
C 1.807744 -0.284627 -0.055400
C 4.389147 -0.316120 -0.080444
C 0.525769 0.578160 -0.040973
C 5.692361 0.514395 -0.088568
C -0.773331 -0.258624 -0.023914
C 6.970732 -0.354841 -0.097360
C -2.056227 0.602737 -0.008872
C 8.270750 0.481488 -0.085765
C -3.352714 -0.237776 0.012126
C 9.581506 -0.343404 -0.199873
C -4.635431 0.624234 0.026717
C -5.923647 -0.228739 0.047410
C 9.785777 -1.287810 1.009582
C 10.799920 0.597395 -0.359994
C -7.183328 0.665071 0.063000
H 3.108466 1.215653 -0.956575
H 3.125753 1.215720 0.819243
H 1.809957 -0.951644 0.832171
H 1.791123 -0.950743 -0.943487
H 4.387046 -0.984107 0.806466
H 4.373692 -0.981471 -0.969177
H 0.543549 1.245455 0.846192
H 0.522033 1.243572 -0.929701
H 5.696501 1.182673 -0.975233
H 5.708570 1.179499 0.800410
H -0.790219 -0.926099 -0.910855
H -0.768218 -0.923836 0.864870
H 6.963439 -1.007028 -0.996338
H 6.948447 -1.032143 0.779945
H -2.062363 1.265929 -0.899141
H -2.037692 1.271493 0.877059
H 8.233966 1.204948 -0.927522
H 8.309741 1.088439 0.844315
H -3.370861 -0.906355 -0.873406
H -3.345651 -0.900164 0.902451
H 9.507082 -0.969252 -1.115718
H -4.640800 1.284404 -0.865584
H -4.615756 1.293031 0.912348
H -5.929904 -0.882945 0.940465
H -5.956735 -0.887101 -0.840478
H 9.824599 -0.707312 1.952287
H 10.736311 -1.846084 0.918165
H 8.969892 -2.027207 1.099488
H 10.914342 1.241806 0.533503
H 11.737549 0.023418 -0.482853
H 10.686188 1.257827 -1.240307
H -7.225091 1.283036 0.977403
H -7.191482 1.336077 -0.816177
H -9.591031 -1.319703 -0.783167


