%chk=000181328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181328

0 1
O 2.791922 -1.576124 -0.918186
O -5.124973 -1.186380 0.259982
C 1.586263 0.470029 -0.596868
C 2.690364 -0.459602 -0.008323
C 0.282275 0.026676 0.122134
C 2.166172 -0.981312 1.354853
C 0.736614 -0.443995 1.523653
C -0.754875 1.123949 0.170354
C 1.480247 0.389168 -2.113821
C 4.056520 0.215952 0.091944
C -2.032990 0.842628 -0.582841
C -0.571511 2.275977 0.820536
C -2.947153 -0.089364 0.221463
C -4.233720 -0.401646 -0.546551
H 1.823885 1.521199 -0.305224
H -0.126721 -0.860396 -0.423047
H 2.809309 -0.669017 2.191829
H 2.169306 -2.085939 1.355352
H 0.056115 -1.213857 1.920957
H 0.716692 0.388164 2.249448
H 0.640213 0.981981 -2.487997
H 2.395543 0.751482 -2.595065
H 1.345218 -0.650871 -2.447134
H 4.412464 0.513434 -0.903191
H 4.019732 1.118665 0.711328
H 4.813602 -0.445363 0.524290
H 3.521917 -2.167579 -0.669341
H -1.797552 0.396076 -1.570911
H -2.566339 1.788979 -0.808244
H -1.307168 3.063600 0.860125
H 0.328533 2.517761 1.364130
H -3.202500 0.376358 1.195778
H -2.413883 -1.025805 0.474210
H -4.039632 -0.937445 -1.492123
H -4.833856 0.505430 -0.751283
H -4.707737 -2.031717 0.512284


%chk=000181328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181328

0 1
O 2.231052 -1.795337 -0.657414
O -5.017229 -1.564582 -0.102514
C 1.600869 0.531787 -0.475151
C 2.623813 -0.526625 0.022434
C 0.289874 0.129864 0.277143
C 2.311614 -0.631538 1.542056
C 0.789566 -0.316976 1.694290
C -0.787425 1.216835 0.265570
C 1.454960 0.636160 -2.001826
C 4.093056 -0.206252 -0.294352
C -2.055321 0.909656 -0.521063
C -0.626358 2.409764 0.900279
C -2.924107 -0.201888 0.132243
C -4.164710 -0.532512 -0.716508
H 1.936055 1.511890 -0.073837
H -0.097925 -0.766015 -0.246060
H 2.918625 0.109352 2.096145
H 2.582205 -1.629396 1.936058
H 0.217742 -1.193290 2.046679
H 0.627463 0.491071 2.428535
H 0.680618 1.379032 -2.267524
H 2.399613 0.957399 -2.478561
H 1.175194 -0.342529 -2.427959
H 4.262478 -0.210841 -1.385320
H 4.380002 0.785901 0.100241
H 4.771132 -0.955525 0.158972
H 2.802375 -2.523518 -0.303221
H -1.779530 0.582094 -1.546535
H -2.667364 1.826486 -0.627509
H -1.398402 3.187101 0.864683
H 0.275061 2.646990 1.479420
H -3.247658 0.120157 1.139642
H -2.314919 -1.120569 0.264942
H -3.856639 -0.834088 -1.742277
H -4.824735 0.347840 -0.800041
H -4.478748 -2.386801 0.022840


