%chk=000278858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278858

0 1
O 3.220346 -2.821867 -0.859742
O 1.251307 -2.395901 -0.085918
N -0.414077 0.775795 -0.106681
N -2.150668 2.981801 -0.288003
N 2.392137 -2.067218 -0.375434
C -1.816235 0.545859 0.004402
C -3.763243 -0.906724 0.224761
C -2.669067 1.669744 -0.186988
C -2.379555 -0.729289 0.206877
C 1.895969 0.322258 0.279785
C -4.603134 0.209775 0.039034
C -4.070053 1.474634 -0.166668
C 2.812006 -0.674045 -0.114804
C 0.455002 0.019753 0.482855
C 2.372507 1.624495 0.504467
C -4.361755 -2.259533 0.435069
C 4.175443 -0.366927 -0.285178
C 3.725272 1.924454 0.341835
C 4.629013 0.928403 -0.052319
H -1.720444 -1.591154 0.328703
H -5.684690 0.076365 0.053682
H -4.732974 2.326483 -0.304274
H 0.255863 -0.855088 1.129183
H 1.665610 2.404360 0.799503
H -4.953098 -2.293318 1.361047
H -5.030028 -2.535445 -0.392760
H -3.603547 -3.050629 0.508959
H 4.868275 -1.155368 -0.603365
H 4.081469 2.941113 0.519786
H 5.685022 1.167472 -0.180074
H -2.723232 3.637772 -0.800880
H -1.174040 3.041770 -0.560760


%chk=000278858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278858

0 1
O 3.798833 -2.971548 0.144146
O 1.575774 -2.708504 -0.233601
N -0.466478 0.823791 0.010331
N -2.095620 2.982861 -0.099553
N 2.760680 -2.218698 -0.038156
C -1.848697 0.566644 0.061736
C -3.860999 -0.874466 0.222682
C -2.688110 1.741940 0.006285
C -2.466090 -0.717507 0.169410
C 1.877391 0.201537 -0.026701
C -4.670004 0.303895 0.165383
C -4.105024 1.581501 0.060513
C 2.957894 -0.746829 -0.029902
C 0.443457 -0.135079 -0.000055
C 2.255274 1.581236 -0.020368
C -4.506717 -2.243998 0.340254
C 4.314138 -0.329904 -0.025581
C 3.593577 1.997562 -0.026232
C 4.637278 1.035180 -0.028029
H -1.836095 -1.613414 0.216732
H -5.761809 0.202535 0.206211
H -4.748949 2.467971 0.019434
H 0.192238 -1.201539 0.002273
H 1.439000 2.308299 -0.007355
H -5.112141 -2.328382 1.262902
H -5.183721 -2.446147 -0.511524
H -3.749967 -3.046592 0.362876
H 5.089218 -1.099791 -0.021255
H 3.832658 3.066546 -0.026803
H 5.685827 1.348962 -0.031840
H -2.641381 3.837831 -0.140321
H -1.076034 3.003908 -0.127790


