%chk=000298310.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298310

0 1
O 0.350241 -0.105241 -1.464964
O 3.959340 -1.400979 -0.651196
O 2.432380 0.522086 1.518302
O 1.853925 -2.450345 0.621831
O -1.047449 -3.000033 0.164827
O 3.291836 2.607379 -1.201549
O -1.124833 -2.317945 -1.972550
C 0.183122 -0.997554 -0.364377
C -0.428985 -0.294212 0.855328
C 2.768484 -0.624196 -0.611638
C 1.625215 -1.469971 -0.037911
C 3.029375 0.658451 0.216896
C -1.752645 0.343978 0.544026
C -0.709923 -2.155671 -0.852402
C 2.358398 1.912262 -0.376469
C -1.805649 1.661997 0.066990
C -2.941437 -0.378244 0.729437
C -3.039887 2.251102 -0.221513
C -4.172015 0.215991 0.439826
C -4.223761 1.530293 -0.036706
H 2.580635 -0.384074 -1.691827
H -0.529808 -1.032698 1.685185
H 0.294942 0.466838 1.241765
H 4.131149 0.813586 0.311024
H 1.434945 1.678215 -0.940626
H 2.128826 2.641427 0.428934
H -0.525813 0.104428 -1.887337
H -0.887205 2.230355 -0.071539
H -2.903228 -1.402253 1.101350
H 4.002487 -2.029922 0.114890
H 3.051458 0.093201 2.144258
H -3.078475 3.275969 -0.589119
H -5.093715 -0.346051 0.586170
H -5.184022 1.991366 -0.261379
H -1.600567 -3.772730 -0.147185
H 3.446657 2.118794 -2.037651


%chk=000298310-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298310

0 1
O 0.460486 0.381541 -1.399944
O 3.888935 -1.808327 -0.277512
O 3.944556 0.294385 1.532540
O 1.611341 -1.975334 1.130006
O -0.945815 -2.739670 -0.138498
O 2.392208 2.276841 -1.197409
O -0.854499 -1.727773 -2.227506
C 0.231510 -0.598394 -0.343583
C -0.581126 0.020689 0.847207
C 2.909743 -0.727394 -0.477239
C 1.594376 -1.149001 0.179743
C 3.589687 0.557425 0.144265
C -1.989823 0.444567 0.466178
C -0.569873 -1.745789 -1.004939
C 2.786783 1.869977 0.142480
C -2.215042 1.635406 -0.272765
C -3.105145 -0.344970 0.848587
C -3.526154 2.022552 -0.628153
C -4.417695 0.043253 0.496794
C -4.631596 1.226988 -0.246121
H 2.769561 -0.565287 -1.558280
H -0.589816 -0.737037 1.649469
H 0.003071 0.886965 1.206937
H 4.497615 0.693865 -0.480755
H 1.923541 1.783558 0.837536
H 3.444782 2.664458 0.529855
H -0.012932 0.066151 -2.223364
H -1.361268 2.257896 -0.562555
H -2.942396 -1.258594 1.433004
H 3.504052 -2.436344 0.396596
H 4.514854 -0.518878 1.536875
H -3.686065 2.945763 -1.196144
H -5.270431 -0.571267 0.806628
H -5.648691 1.530714 -0.517672
H -1.463083 -3.442266 -0.618895
H 1.618346 1.698929 -1.460265


