%chk=000258221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258221

0 1
O -4.076952 -0.523255 -0.577972
O -3.787741 1.514152 0.432075
N 0.685774 -0.883601 0.507695
N -1.953224 0.262414 -0.302055
C -0.067260 0.113863 1.330136
C -0.009147 -1.210971 -0.785780
C -0.975087 1.045263 0.508873
C -1.535699 -1.131402 -0.644902
C 2.070145 -0.489942 0.257685
C -3.312932 0.509037 -0.059739
C 2.449324 0.769272 -0.238333
C 3.048941 -1.451862 0.554496
C 3.799082 1.062409 -0.427536
C 4.398083 -1.152008 0.358804
C 4.784333 0.104758 -0.131677
C -5.529096 -0.333382 -0.559325
C 6.226820 0.433971 -0.339985
C -6.063772 -0.554687 0.839668
H 0.630151 0.712211 1.954234
H -0.680113 -0.487235 2.043070
H 0.287217 -2.253686 -1.042870
H 0.325772 -0.561636 -1.625605
H -1.508551 1.767289 1.170665
H -0.376129 1.653902 -0.207984
H -2.031696 -1.402922 -1.606398
H -1.895952 -1.855859 0.120999
H 1.692983 1.515586 -0.475413
H 2.748553 -2.425926 0.941621
H 4.090917 2.039335 -0.808741
H 5.152910 -1.900961 0.592043
H -5.756855 0.675555 -0.947169
H -5.840679 -1.114163 -1.277181
H 6.892910 -0.405894 -0.103816
H 6.425818 0.718218 -1.383155
H 6.537342 1.278002 0.292705
H -7.159573 -0.556454 0.855978
H -5.718425 -1.507213 1.260062
H -5.724691 0.242822 1.520328


%chk=000258221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258221

0 1
O -4.147289 -0.999182 -0.170009
O -4.206829 1.359725 -0.260116
N 0.702652 0.064842 -0.240551
N -2.189117 0.168073 -0.413488
C -0.055335 1.222367 0.275901
C -0.055078 -0.972378 -0.961768
C -1.372788 1.396579 -0.499652
C -1.476808 -1.130206 -0.390545
C 2.099264 -0.009350 -0.097572
C -3.555909 0.277651 -0.278955
C 2.793915 0.850423 0.809522
C 2.880845 -0.940935 -0.846429
C 4.192476 0.771515 0.952147
C 4.279903 -1.009096 -0.679557
C 4.972111 -0.159533 0.217983
C -5.627971 -0.997760 0.002407
C 6.479691 -0.238433 0.392121
C -6.009203 -0.836138 1.476646
H 0.543921 2.144009 0.143486
H -0.273571 1.121010 1.361852
H 0.456247 -1.944668 -0.840954
H -0.110286 -0.763044 -2.053467
H -1.962295 2.229441 -0.081753
H -1.152760 1.640185 -1.558552
H -2.039145 -1.867905 -0.987438
H -1.421029 -1.516934 0.646639
H 2.240111 1.564508 1.426998
H 2.407678 -1.596320 -1.584456
H 4.688750 1.445313 1.662840
H 4.846537 -1.736174 -1.275137
H -6.053716 -0.183651 -0.610018
H -5.935929 -1.977162 -0.399085
H 6.922720 -0.989571 -0.285092
H 6.966416 0.732345 0.178620
H 6.756230 -0.518937 1.426825
H -7.105888 -0.923786 1.592147
H -5.533427 -1.617260 2.094969
H -5.701594 0.155440 1.848994


