%chk=000280641.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280641

0 1
O -2.429388 -0.036457 -2.241929
O -5.987450 0.540879 0.569289
N 3.786137 -0.529089 -0.239681
N 3.498399 -2.306134 1.432838
N 0.222129 -0.679336 0.978295
N -0.519399 -0.506157 -0.022781
N 5.582728 -1.951693 0.359993
C 2.462317 -0.230707 -0.136785
C 1.606239 -0.957633 0.728623
C 2.013745 0.916662 -0.965139
C 2.181728 -2.000689 1.521805
C 1.341639 1.996623 -0.371504
C 2.290301 0.929956 -2.341328
C -1.897047 -0.227830 0.208947
C -2.742022 -0.023349 -0.920854
C 1.367629 -2.809738 2.470199
C 4.262266 -1.576270 0.530800
C 0.931645 3.074762 -1.159461
C 1.875157 2.012148 -3.122150
C -2.481071 -0.153486 1.498127
C -4.117677 0.231258 -0.747218
C -4.641331 0.287451 0.545461
C -3.829362 0.099158 1.685851
C 1.194190 3.082498 -2.533683
C -1.060875 -0.211203 -2.695662
C -6.646381 0.623449 1.858361
H 1.139544 1.993095 0.699950
H 2.838397 0.101809 -2.792249
H 0.635909 -3.430539 1.928863
H 1.985900 -3.484495 3.083580
H 0.792085 -2.160682 3.150939
H -1.835696 -0.303545 2.370830
H -4.756216 0.382240 -1.616406
H 0.406481 3.911337 -0.700703
H 2.090576 2.024088 -4.189266
H -4.242386 0.148897 2.686031
H 0.871763 3.924626 -3.143998
H 5.999347 -2.584926 1.026268
H 6.201503 -1.339045 -0.150422
H -0.691368 -1.200101 -2.407781
H -0.423825 0.586214 -2.294511
H -1.184333 -0.123524 -3.781497
H -6.234223 1.450809 2.442908
H -6.569096 -0.331495 2.385868
H -7.684507 0.827859 1.563585


%chk=000280641-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280641

0 1
O -2.487037 -0.207235 -2.339301
O -6.086783 0.426623 0.607881
N 3.677446 -0.705616 -0.389197
N 3.491797 -2.259815 1.489120
N 0.166638 -0.756288 0.990538
N -0.550489 -0.536609 -0.092226
N 5.434069 -2.145948 0.182297
C 2.384481 -0.299124 -0.204224
C 1.551310 -0.956097 0.770516
C 1.990272 0.906593 -0.990392
C 2.192266 -1.897187 1.651874
C 1.212523 1.949405 -0.418737
C 2.491177 1.069184 -2.308419
C -1.924581 -0.273006 0.140451
C -2.808052 -0.129887 -0.992410
C 1.433165 -2.559878 2.775133
C 4.158673 -1.693736 0.425312
C 0.929506 3.117180 -1.156625
C 2.194500 2.231980 -3.052464
C -2.488028 -0.150806 1.448274
C -4.188470 0.096194 -0.773487
C -4.709021 0.198000 0.528928
C -3.848942 0.079908 1.662875
C 1.410960 3.260981 -2.480598
C -1.101535 -0.228510 -2.847826
C -6.687692 0.542150 1.940851
H 0.843233 1.853704 0.607568
H 3.119454 0.278828 -2.730698
H 0.728634 -3.313969 2.377365
H 2.144560 -3.061251 3.449403
H 0.824400 -1.823859 3.326936
H -1.797774 -0.256584 2.291127
H -4.850129 0.198375 -1.636656
H 0.336454 3.916878 -0.699333
H 2.580099 2.338300 -4.072687
H -4.236395 0.166461 2.681645
H 1.183399 4.166409 -3.054232
H 5.823671 -2.866801 0.783733
H 5.980041 -1.717417 -0.560159
H -0.586094 -1.156288 -2.554141
H -0.526826 0.629858 -2.465009
H -1.224903 -0.165824 -3.940646
H -6.266581 1.400349 2.498768
H -6.550684 -0.387688 2.525284
H -7.758612 0.709757 1.755990


