%chk=000277842.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277842

0 1
O 1.996086 0.217622 1.383363
O 3.019493 2.819226 -0.062182
O 3.348237 -0.230695 -1.661206
O 4.159973 -2.306922 -0.144468
O -5.233745 -1.676943 -0.861804
N 0.235476 0.475446 -0.168814
N -0.906209 -1.004764 -1.518085
N -1.712668 1.306386 1.184714
N -3.822931 0.258453 0.519313
N -4.022299 -1.191973 -1.389369
C 2.425731 1.612951 -0.533641
C 1.358995 1.153850 0.504393
C 3.531695 0.529272 -0.466050
C 3.239091 -0.283476 0.822188
C 3.048587 -1.791491 0.602487
C -1.111487 0.542158 0.219349
C 0.292958 -0.501952 -1.226596
C -1.813755 -0.378777 -0.641510
C -3.218682 -0.482151 -0.458342
C -3.052678 1.109106 1.279510
H 2.032023 1.736121 -1.565541
H 0.977923 1.959635 1.183713
H 4.549467 0.975412 -0.467902
H 3.988150 -0.069869 1.616589
H 2.175089 -2.012091 -0.044365
H 2.931747 -2.331763 1.557314
H 2.593598 3.600377 -0.480144
H 3.927314 -1.047812 -1.644862
H 1.242255 -0.743258 -1.712074
H 4.949242 -2.405348 0.427346
H -3.593829 1.688167 2.048342
H -3.578587 -2.026673 -1.801580
H -5.785762 -0.846226 -0.648184


%chk=000277842-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277842

0 1
O 1.944793 -0.093408 1.311749
O 2.913065 2.683847 0.124370
O 3.212690 -0.451496 -1.660482
O 4.801051 -2.049374 -0.099432
O -5.655806 -0.984284 -0.991620
N 0.122203 0.236436 -0.254559
N -1.087710 -1.130172 -1.648438
N -1.734897 1.242489 1.057599
N -3.922023 0.397610 0.361127
N -4.266318 -1.142474 -1.317328
C 2.316774 1.492176 -0.486019
C 1.239285 0.872999 0.452968
C 3.452708 0.451536 -0.534351
C 3.349893 -0.259042 0.844965
C 3.635145 -1.773890 0.774795
C -1.223718 0.413422 0.096366
C 0.143232 -0.704004 -1.306238
C -1.948485 -0.438340 -0.776646
C -3.362544 -0.419466 -0.606085
C -3.093555 1.171965 1.125698
H 1.916477 1.699426 -1.495867
H 0.773693 1.627825 1.113331
H 4.419189 0.975223 -0.649194
H 4.006800 0.252926 1.574895
H 2.786177 -2.280760 0.292846
H 3.783933 -2.203426 1.781636
H 2.235806 3.403513 0.187037
H 3.922887 -1.153199 -1.607419
H 1.081732 -1.004783 -1.769835
H 5.646389 -1.879132 0.383475
H -3.581764 1.803616 1.872625
H -4.083746 -1.805668 -2.065412
H -5.572858 -0.300095 -0.234656


