%chk=000247088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247088

0 1
O -0.301720 -1.581986 1.730362
O -0.189889 -2.165306 -0.463244
O -1.144791 0.091065 -2.392356
O -2.547986 2.906075 0.990717
N -1.126306 1.029226 1.059871
N -2.047666 1.648826 -0.938659
C -0.468337 0.148293 0.037734
C -0.870404 -1.306649 0.442291
C 1.011252 0.445230 -0.074353
C -1.206992 0.547530 -1.287806
C -1.963705 1.999917 0.451587
C 1.977232 -0.507377 0.270748
C 1.419126 1.716678 -0.518031
C 3.337803 -0.194875 0.172173
C 2.776559 2.023257 -0.614122
C 3.739829 1.067208 -0.268884
C -1.249184 -1.895714 2.770669
C -0.580329 -3.553787 -0.389552
H -1.965986 -1.462269 0.424616
H -0.607044 1.238953 1.910725
H -2.664849 2.127211 -1.590013
H 1.670170 -1.503701 0.612787
H 0.682503 2.470217 -0.793829
H 4.082242 -0.943581 0.439466
H 3.087155 3.007558 -0.961436
H 4.798727 1.308642 -0.347099
H -0.599660 -2.049790 3.642623
H -1.796976 -2.810404 2.530249
H -1.926110 -1.051736 2.938068
H -1.633648 -3.669846 -0.657021
H -0.361059 -3.952229 0.605470
H 0.067341 -4.013537 -1.148349


%chk=000247088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247088

0 1
O -0.344873 -1.707864 1.575121
O -0.246341 -1.856015 -0.826963
O -1.247608 0.887872 -2.113424
O -2.559712 2.620651 2.066509
N -0.970405 0.955356 1.451675
N -2.075501 1.988393 -0.191719
C -0.439243 0.328964 0.230732
C -0.835767 -1.191224 0.288769
C 1.071358 0.553045 0.022975
C -1.275491 1.067509 -0.876132
C -1.928279 1.932372 1.231242
C 1.883136 1.027475 1.080888
C 1.662745 0.287150 -1.238809
C 3.269879 1.220671 0.889342
C 3.046693 0.486112 -1.428054
C 3.857756 0.949044 -0.365870
C -1.338211 -2.473283 2.347358
C -0.639748 -3.263563 -0.967742
H -1.949774 -1.289193 0.268226
H -0.715064 0.632840 2.382503
H -2.716944 2.639168 -0.645523
H 1.442610 1.260774 2.055028
H 1.037452 -0.070336 -2.060106
H 3.885912 1.586294 1.718506
H 3.491652 0.280462 -2.407998
H 4.932554 1.101366 -0.516193
H -0.826014 -2.766635 3.276844
H -1.666497 -3.383842 1.809666
H -2.225417 -1.855777 2.594050
H -1.745009 -3.371226 -0.963225
H -0.195861 -3.875962 -0.161270
H -0.242690 -3.587500 -1.941006


