%chk=000280774.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280774

0 1
O 3.396632 -2.618300 -0.579781
O -7.319470 -1.190036 0.538043
O -7.529580 0.774262 -0.505420
N 5.318918 0.927181 0.219565
N 1.831559 -0.263793 -0.063162
N 3.275942 2.117434 0.479599
N 5.338589 -1.445170 -0.313044
N 7.363630 -0.287584 -0.047124
C 3.912126 0.926874 0.214044
C 3.182004 -0.268515 -0.057701
C 1.188953 0.903519 0.196183
C -2.508143 -0.108579 -0.110194
C -0.278895 0.929027 0.196102
C -1.036392 -0.132075 -0.123324
C 1.930365 2.098029 0.469806
C 3.920138 -1.564231 -0.343923
C 5.979064 -0.314854 -0.057466
C -3.220869 0.960050 -0.681803
C -3.205278 -1.181907 0.473326
C -5.306424 -0.109781 -0.071265
C -4.614973 0.959475 -0.664560
C -4.599064 -1.181254 0.497030
C -6.781988 -0.071659 -0.067588
H 5.810488 1.798968 0.418368
H -0.725995 1.883141 0.488239
H -0.583171 -1.094878 -0.404124
H 1.424509 3.049514 0.682904
H -2.684108 1.784405 -1.149921
H -2.654245 -2.014651 0.912095
H -5.177914 1.785482 -1.109674
H -5.149017 -2.010061 0.953182
H 7.866823 -1.146658 -0.239183
H 7.894425 0.541243 0.139467
H -8.314541 -1.171017 0.541804


%chk=000280774-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280774

0 1
O 3.267056 -2.691610 0.194105
O -7.347583 -1.515158 0.082648
O -7.596558 0.790613 -0.045159
N 5.349527 0.860353 0.003648
N 1.828992 -0.200591 0.049746
N 3.397636 2.181952 -0.074768
N 5.309344 -1.549585 0.135321
N 7.343093 -0.409959 0.077974
C 3.957323 0.940625 -0.005337
C 3.182927 -0.263000 0.058088
C 1.233331 1.038449 -0.020431
C -2.504906 0.001075 0.020921
C -0.227980 1.125798 -0.031679
C -1.038831 0.021205 0.025749
C 2.041361 2.219390 -0.081531
C 3.892644 -1.601846 0.134618
C 5.966218 -0.396376 0.073677
C -3.310378 1.179358 -0.047705
C -3.165698 -1.261950 0.087216
C -5.352649 -0.172730 0.017334
C -4.709852 1.094397 -0.049449
C -4.568418 -1.353253 0.085998
C -6.836466 -0.207684 0.012900
H 5.866328 1.743334 -0.042697
H -0.646755 2.138742 -0.089991
H -0.529696 -0.951071 0.082337
H 1.581412 3.211979 -0.137343
H -2.836144 2.165079 -0.099696
H -2.560446 -2.174348 0.140278
H -5.332939 1.993270 -0.102049
H -5.067469 -2.324541 0.137289
H 7.782231 -1.326795 0.130080
H 7.918367 0.426989 0.032699
H -8.340924 -1.468508 0.075713


