%chk=000258249.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258249

0 1
O -2.345356 -2.045029 1.390217
O 2.345343 2.044955 -1.390558
N -1.196089 -0.783217 -0.108956
N 1.196114 0.783327 0.108804
C 0.084689 -1.470236 0.240148
C -0.084665 1.470348 -0.240302
C -1.054600 0.456151 -0.908167
C 1.054616 -0.456034 0.908013
C 0.698325 -2.117957 -1.001552
C -0.698300 2.118074 1.001397
C -2.364082 -1.124731 0.585897
C 2.364077 1.124734 -0.586151
C -3.612576 -0.365426 0.248039
C 3.612537 0.365354 -0.248349
C -4.317659 -0.665818 -0.924148
C 4.092040 -0.600816 -1.141087
C -4.092225 0.600649 1.140803
C 4.317735 0.665767 0.923762
C -5.505639 0.014236 -1.207115
C 5.279601 -1.278773 -0.849980
C -5.279813 1.278536 0.849644
C 5.505686 -0.014357 1.206679
C -5.984775 0.986881 -0.322876
C 5.984678 -0.987095 0.322464
H -0.153380 -2.277347 0.994057
H 0.153406 2.277457 -0.994213
H -2.042422 0.937648 -1.074430
H -0.664848 0.179544 -1.915683
H 0.664863 -0.179418 1.915526
H 2.042443 -0.937516 1.074278
H -0.019940 -2.789229 -1.490709
H 1.011617 -1.377974 -1.747008
H 1.578601 -2.715541 -0.738078
H 0.019992 2.789281 1.490603
H -1.578526 2.715728 0.737909
H -1.011675 1.378091 1.746820
H -3.945065 -1.430161 -1.606057
H 3.549084 -0.813958 -2.061581
H -3.549356 0.813773 2.061353
H 3.945251 1.430182 1.605651
H -6.060448 -0.217410 -2.115279
H 5.658730 -2.030159 -1.541244
H -5.659054 2.029849 1.540927
H 6.060583 0.217305 2.114783
H -6.911445 1.514662 -0.545619
H 6.911325 -1.514932 0.545168


%chk=000258249-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258249

0 1
O -2.420996 -1.547974 1.895896
O 2.420928 1.547888 -1.896217
N -1.286140 -0.625920 0.078021
N 1.285216 0.621821 -0.081032
C -0.071330 -1.425830 0.404899
C 0.070437 1.421819 -0.407756
C -1.067253 0.476197 -0.884747
C 1.066351 -0.480186 0.881869
C 0.355126 -2.309018 -0.787979
C -0.355982 2.304891 0.785223
C -2.436628 -0.820475 0.847272
C 2.435697 0.816547 -0.850259
C -3.728695 -0.186361 0.392834
C 3.728756 0.186225 -0.393391
C -4.159704 -0.221858 -0.959148
C 4.600717 -0.336437 -1.382215
C -4.596999 0.339457 1.383211
C 4.156798 0.222256 0.959529
C -5.430695 0.279980 -1.315823
C 5.862785 -0.852526 -1.020099
C -5.858337 0.859004 1.023509
C 5.428467 -0.276104 1.318653
C -6.278423 0.832315 -0.327853
C 6.279909 -0.825386 0.332175
H -0.358415 -2.064985 1.258862
H 0.357476 2.061032 -1.261694
H -1.993893 1.059152 -0.991750
H -0.800686 0.064478 -1.876754
H 0.799752 -0.068404 1.873846
H 1.992979 -1.063131 0.988935
H -0.492074 -2.929997 -1.126700
H 0.716875 -1.711262 -1.643936
H 1.173927 -2.984373 -0.480314
H 0.491239 2.925813 1.123997
H -1.174780 2.980299 0.477659
H -0.717716 1.707043 1.641122
H -3.517826 -0.671329 -1.725669
H 4.281886 -0.312176 -2.429413
H -4.276028 0.314846 2.429749
H 3.511945 0.669365 1.724939
H -5.760608 0.233476 -2.359496
H 6.525109 -1.263912 -1.789664
H -6.517816 1.272751 1.794252
H 5.756009 -0.229259 2.363058
H -7.262286 1.226322 -0.605905
H 7.264324 -1.216674 0.612102


