%chk=000272811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272811

0 1
O -1.185142 -2.599217 0.212885
O -1.164508 1.393783 -2.088725
O 0.544523 0.419679 1.109151
N -0.849379 -0.639649 -1.000087
C -2.998253 -0.913694 0.001071
C -3.089382 0.144937 -1.133310
C -3.012242 -0.338404 1.429277
C -3.922343 1.393390 -0.837961
C -4.052668 0.770124 1.596808
C -3.778809 1.900233 0.599091
C -1.614470 -1.551133 -0.193151
C -1.629914 0.468622 -1.474976
C 0.618236 -0.663706 -1.040528
C 1.225027 -0.007482 0.205753
C 2.715974 0.094543 0.201926
C 3.523874 -0.966555 -0.229244
C 3.303711 1.281059 0.665505
C 4.914683 -0.834075 -0.208686
C 4.694936 1.412480 0.675897
C 5.499966 0.355904 0.238455
H -3.805787 -1.669375 -0.109958
H -3.526757 -0.348735 -2.041843
H -2.006025 0.068623 1.686174
H -3.196766 -1.157575 2.151400
H -4.988448 1.167807 -1.043542
H -3.635852 2.197665 -1.549926
H -4.018954 1.158951 2.633001
H -5.073876 0.368877 1.453718
H -4.473534 2.743681 0.771370
H -2.760047 2.308411 0.758510
H 0.964794 -1.722829 -1.121838
H 0.972922 -0.125895 -1.954889
H 3.076025 -1.900677 -0.567861
H 2.668436 2.095482 1.021072
H 5.543750 -1.659348 -0.539437
H 5.150584 2.336301 1.030079
H 6.585013 0.457500 0.249219


%chk=000272811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272811

0 1
O -1.141694 -2.544507 0.659765
O -1.178895 1.169148 -2.191328
O 0.583352 0.655031 1.033452
N -0.858181 -0.727689 -0.822407
C -3.000490 -0.914109 0.184904
C -3.108830 -0.018881 -1.087970
C -3.018403 -0.098970 1.521871
C -4.011118 1.231979 -1.000126
C -4.118673 0.983795 1.526181
C -3.901351 1.966942 0.354112
C -1.610249 -1.546261 0.063598
C -1.641999 0.274407 -1.444911
C 0.589623 -0.793279 -0.933477
C 1.277399 0.053974 0.167555
C 2.771731 0.126534 0.160946
C 3.563897 -0.549512 -0.807310
C 3.412861 0.904796 1.163975
C 4.970279 -0.445882 -0.771862
C 4.816561 1.006887 1.197601
C 5.598884 0.331695 0.228817
H -3.781514 -1.692387 0.214589
H -3.481267 -0.651162 -1.922351
H -2.035600 0.393781 1.658310
H -3.143024 -0.808487 2.359724
H -5.062702 0.917023 -1.151022
H -3.749673 1.908764 -1.835089
H -4.094031 1.522323 2.492478
H -5.121620 0.516164 1.440509
H -4.645082 2.785371 0.387577
H -2.901269 2.434827 0.451514
H 0.904803 -1.848585 -0.833373
H 0.885020 -0.416578 -1.929467
H 3.094455 -1.156170 -1.588898
H 2.784882 1.416785 1.900585
H 5.576015 -0.967795 -1.520299
H 5.303806 1.608499 1.972332
H 6.691398 0.411232 0.253896


