%chk=000271668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271668

0 1
O -2.693200 -2.047551 1.202655
O -1.338856 2.032215 -0.960947
O -5.670977 0.608991 -1.005853
N 1.249686 -0.585485 0.728997
N -4.149028 -0.733834 0.088466
N -3.475299 1.313054 -0.972172
C -1.694702 -0.107964 0.134152
C -0.974957 0.331537 1.435940
C -0.735007 -0.913710 -0.781194
C 0.506277 0.636952 1.179161
C 0.364967 -1.582004 0.059472
C -2.836254 -1.047782 0.537630
C -2.103797 1.157516 -0.626025
C 2.550605 -0.365724 0.180066
C -4.528325 0.411908 -0.661005
C 3.265244 0.814853 0.472901
C 3.190043 -1.388072 -0.560723
C 4.590583 0.963786 0.040844
C 4.506562 -1.223717 -0.982134
C 5.215730 -0.055627 -0.691814
C 5.329740 2.222174 0.369177
H -1.057354 -0.475857 2.200311
H -1.468290 1.218231 1.877768
H -0.264192 -0.238185 -1.529363
H -1.286370 -1.673195 -1.366109
H 0.589674 1.467773 0.435830
H 0.984390 0.979347 2.126357
H -0.092925 -2.207319 0.865554
H 0.958401 -2.281215 -0.574090
H -4.908852 -1.389163 0.341377
H -3.739413 2.161937 -1.501809
H 2.812825 1.618450 1.044226
H 2.662343 -2.311278 -0.792044
H 4.990825 -2.019921 -1.548450
H 6.240644 0.057772 -1.029193
H 4.797104 3.108111 -0.004347
H 5.441193 2.342870 1.456311
H 6.338461 2.247128 -0.062621


%chk=000271668-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271668

0 1
O -2.147413 -1.879939 1.589983
O -2.319486 2.447627 -0.506262
O -5.875418 -0.528737 -0.830097
N 1.172913 -0.061415 -0.020486
N -3.945602 -1.213631 0.300731
N -4.037685 0.914725 -0.721931
C -1.843334 0.143895 0.210266
C -0.822625 0.690999 1.255864
C -1.044964 -0.432822 -1.039672
C 0.530834 1.094849 0.636333
C 0.284345 -1.078725 -0.609035
C -2.635126 -1.040663 0.791165
C -2.731016 1.271954 -0.335227
C 2.568767 -0.213146 -0.054969
C -4.701134 -0.297349 -0.454199
C 3.438372 0.878587 0.247673
C 3.163384 -1.468714 -0.398067
C 4.846078 0.736930 0.225575
C 4.564331 -1.602494 -0.432853
C 5.412622 -0.514990 -0.121937
C 5.733085 1.925187 0.565217
H -0.650151 -0.102482 2.004217
H -1.252967 1.567660 1.770328
H -0.828121 0.407132 -1.724877
H -1.663818 -1.165700 -1.589302
H 0.390734 1.949274 -0.058675
H 1.184742 1.442672 1.457080
H 0.092091 -1.924709 0.086623
H 0.766610 -1.498652 -1.512689
H -4.439129 -2.066632 0.584552
H -4.598721 1.632845 -1.192581
H 3.019536 1.865509 0.474263
H 2.539289 -2.344136 -0.601611
H 4.999738 -2.574751 -0.692678
H 6.501338 -0.635748 -0.147551
H 5.487210 2.805185 -0.058333
H 5.608928 2.229834 1.622061
H 6.799264 1.687570 0.408405


