%chk=000210432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210432

0 1
O 4.072862 2.849704 -0.626544
O -4.171386 0.234587 2.163612
N -0.996524 -0.813906 1.119702
N 1.313915 0.742934 0.319528
C -0.789782 0.583946 1.623357
C 0.330117 -1.467324 0.875067
C -0.012389 1.397162 0.569797
C 1.106409 -0.655075 -0.181337
C -1.852180 -1.613022 2.055283
C 2.148588 1.540231 -0.630799
C -3.222065 -1.827775 1.368375
C 3.576091 1.617889 -0.037092
C -4.114806 -2.750531 2.197255
C -3.924960 -0.475227 1.212059
C 4.441456 0.445776 -0.444316
C -4.307989 -0.079244 -0.180789
C 4.590994 -0.643727 0.425064
C 5.084684 0.436647 -1.689795
C 5.271540 3.356843 -0.012038
C -3.358152 -0.106252 -1.210419
C -5.617712 0.347119 -0.438989
C 5.378526 -1.735122 0.047443
C 5.873380 -0.654363 -2.062616
C 6.020648 -1.741982 -1.195071
C -3.725207 0.281871 -2.501703
C -5.982612 0.723998 -1.734536
C -5.037070 0.690960 -2.764999
H -1.787774 1.049765 1.788621
H -0.247529 0.615291 2.593614
H 0.942492 -1.558756 1.798548
H 0.150569 -2.492734 0.488219
H -0.625470 1.500635 -0.351805
H 0.172395 2.420047 0.963602
H 2.104637 -1.118529 -0.343597
H 0.564325 -0.689478 -1.151364
H -1.403884 -2.601853 2.283816
H -2.004234 -1.111959 3.037008
H 1.772383 2.583441 -0.740606
H 2.179967 1.126645 -1.659464
H -3.048352 -2.287175 0.363761
H 3.541669 1.737027 1.069745
H -4.346670 -2.312043 3.178208
H -5.069307 -2.943036 1.692625
H -3.637277 -3.721028 2.371554
H 4.088302 -0.641183 1.391993
H 4.967083 1.293922 -2.355031
H 5.479973 4.258673 -0.599759
H 6.087869 2.633786 -0.105054
H 5.084828 3.610133 1.035516
H -2.330459 -0.419044 -0.995382
H -6.344285 0.390392 0.373197
H 5.494030 -2.579992 0.723601
H 6.373508 -0.657688 -3.029271
H 6.634934 -2.591402 -1.486102
H -2.989119 0.265395 -3.303125
H -7.000891 1.049528 -1.938936
H -5.321889 0.987902 -3.773335


%chk=000210432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210432

0 1
O 4.067654 2.888275 -1.167300
O -4.432677 -0.548745 2.389358
N -0.886355 -1.074805 0.744053
N 1.225406 0.713965 -0.108850
C -0.844792 0.337829 1.200112
C 0.483126 -1.578177 0.466573
C -0.138529 1.225361 0.161725
C 1.176712 -0.690008 -0.578665
C -1.693581 -1.957915 1.615133
C 2.065831 1.605206 -0.938170
C -3.162888 -2.183695 1.118247
C 3.459845 1.857314 -0.303592
C -3.822077 -3.308093 1.956093
C -4.002332 -0.902281 1.246916
C 4.328083 0.607374 -0.206589
C -4.333699 -0.087959 0.028379
C 4.465958 -0.084646 1.021149
C 4.985886 0.104311 -1.358825
C 5.287955 3.467302 -0.600908
C -3.593625 -0.192092 -1.181077
C -5.414536 0.834061 0.105908
C 5.238223 -1.266941 1.097421
C 5.762359 -1.072699 -1.284242
C 5.888322 -1.764968 -0.055510
C -3.936761 0.608804 -2.292472
C -5.764391 1.619304 -1.009587
C -5.027060 1.506315 -2.214474
H -1.875833 0.703405 1.349465
H -0.306306 0.425820 2.176297
H 1.114662 -1.596484 1.389504
H 0.410450 -2.611356 0.078665
H -0.764852 1.258334 -0.765322
H -0.064472 2.254743 0.558123
H 2.205872 -1.052873 -0.741941
H 0.619706 -0.773575 -1.547231
H -1.214011 -2.954948 1.646577
H -1.737175 -1.583719 2.664214
H 1.581901 2.594399 -1.037713
H 2.208601 1.210621 -1.968321
H -3.107121 -2.496283 0.061193
H 3.295870 2.269981 0.716855
H -3.916818 -2.993869 3.009761
H -4.835188 -3.540885 1.582563
H -3.217664 -4.232517 1.908115
H 3.959938 0.299602 1.914749
H 4.894202 0.654108 -2.302992
H 5.607576 4.251328 -1.305812
H 6.091993 2.711425 -0.496693
H 5.090842 3.921827 0.393143
H -2.723433 -0.855997 -1.229164
H -5.960313 0.912943 1.052199
H 5.336517 -1.794881 2.052965
H 6.270341 -1.450529 -2.179117
H 6.491271 -2.678301 0.003230
H -3.355049 0.533713 -3.217957
H -6.606386 2.317564 -0.946647
H -5.298978 2.116807 -3.083217


