%chk=000217698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217698

0 1
O -1.066766 -0.278751 2.281486
O -2.596884 2.564642 -1.014775
O 5.602905 -1.728878 0.753736
N -1.614317 1.352209 0.711415
N 3.864924 0.318169 -0.220646
C -3.065508 -0.532213 0.860648
C -3.586476 0.434029 -0.262832
C -2.784737 -1.860858 0.082315
C -3.539788 -0.459069 -1.547485
C -2.254252 -1.311569 -1.283650
C -4.166176 -2.360103 -0.358699
C -4.612288 -1.531859 -1.321814
C -1.797470 0.112566 1.408289
C -2.594515 1.589690 -0.308244
C -0.430623 2.229589 0.911967
C 0.716654 1.751756 0.175290
C 2.834010 0.880961 -1.162832
C 3.323739 -0.852517 0.545431
C 5.083415 -0.095490 -0.994331
C 1.677936 1.351108 -0.433984
C 4.417546 -1.366432 1.493583
C 6.132661 -0.620943 -0.000382
H -3.797657 -0.685917 1.677073
H -4.607849 0.816032 -0.069941
H -2.149435 -2.575044 0.613950
H -3.586977 0.094640 -2.489605
H -1.327052 -0.731714 -1.214776
H -2.090891 -2.095587 -2.033832
H -4.629346 -3.220865 0.079582
H -5.532447 -1.544156 -1.870145
H -0.197438 2.262943 2.009415
H -0.703217 3.268230 0.583999
H 3.308778 1.746757 -1.694840
H 2.511851 0.156067 -1.951731
H 2.972453 -1.676547 -0.110716
H 2.447300 -0.506506 1.139077
H 5.483525 0.794989 -1.523897
H 4.871422 -0.872574 -1.759719
H 4.686338 -0.612710 2.254870
H 4.137964 -2.318815 1.976388
H 7.001405 -1.071631 -0.510485
H 6.461583 0.167574 0.699849


%chk=000217698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217698

0 1
O -1.076399 -0.245689 2.295507
O -2.707766 2.613186 -1.041564
O 5.731258 -1.789435 0.750455
N -1.656861 1.357815 0.661843
N 3.938902 0.270430 -0.224030
C -3.123362 -0.511860 0.874183
C -3.665877 0.440630 -0.241195
C -2.836237 -1.862783 0.085195
C -3.628148 -0.471069 -1.543912
C -2.328943 -1.297261 -1.279582
C -4.219493 -2.383310 -0.331051
C -4.693057 -1.551795 -1.305008
C -1.848395 0.157691 1.393481
C -2.673604 1.604546 -0.297567
C -0.482700 2.239042 0.840785
C 0.714483 1.760130 0.126580
C 2.940362 0.884074 -1.137770
C 3.415435 -0.929554 0.481089
C 5.199106 -0.051471 -0.941410
C 1.735761 1.366267 -0.440002
C 4.478665 -1.458224 1.455140
C 6.235757 -0.593704 0.056519
H -3.817008 -0.681777 1.712830
H -4.679782 0.832003 -0.061459
H -2.182463 -2.557178 0.631161
H -3.694844 0.100694 -2.480025
H -1.410577 -0.687488 -1.204350
H -2.181768 -2.091072 -2.029121
H -4.740448 -3.216611 0.147324
H -5.677347 -1.571177 -1.779771
H -0.269827 2.298717 1.923823
H -0.778333 3.240041 0.475911
H 3.428651 1.737267 -1.648990
H 2.618565 0.171586 -1.943736
H 3.144606 -1.739196 -0.244030
H 2.504293 -0.647458 1.039462
H 5.591792 0.869199 -1.414881
H 5.035315 -0.812966 -1.746754
H 4.679362 -0.693504 2.235400
H 4.150413 -2.397210 1.929809
H 7.154702 -0.916358 -0.460437
H 6.480111 0.196035 0.799149


