%chk=000125444.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125444

0 1
 O    4.989600      -1.571300      -1.278300    
 O    5.104500       1.291700     -0.6984000    
 O   -1.066300      0.5987000       2.402800    
 O   -6.525100      0.4824000     -0.3402000    
 C   0.8029000     -0.6680000      0.3393000    
 C    2.258300     -0.5929000     -0.1261000    
 C  -2.8600000E-02  0.4037000     -0.4260000    
 C    2.874500      0.7957000      0.1367000    
 C   -1.526900      0.4039000      3.8699999E-02
 C   0.6294000       1.812300     -0.4142000    
 C    2.134100       1.803600     -0.7369000    
 C    3.279400      -1.577700      0.4416000    
 C   0.2064000      -2.063000      0.1030000    
 C   -2.075000      -1.007600      0.2162000    
 C    4.303700      0.4759000     -0.2614000    
 C    4.618300     -0.9989000     -4.3800000E-02
 C   -2.384600       1.204100     -0.9744000    
 C    2.914300       1.247400       1.607400    
 C   -1.285500      -2.096700      0.2232000    
 C   -3.571000      -1.148300      0.3753000    
 C   -3.896400       1.063800     -0.7757000    
 C   -4.322100     -0.4019000     -0.7260000    
 C   -1.632600       1.038900       1.407900    
 C   -5.801000     -0.4960000     -0.4910000    
 H   0.7780000     -0.4774000       1.416000    
 H    2.249500     -0.7698000      -1.215800    
 H  -2.2700001E-02  9.0099998E-02  -1.482800    
 H   0.4844000       2.291200      0.5601000    
 H   0.1317000       2.457900      -1.146800    
 H    2.275200       1.562300      -1.798600    
 H    2.546100       2.811000     -0.6013000    
 H    3.112600      -2.594000      7.0799999E-02
 H    3.234600      -1.596900       1.535900    
 H   0.6327000      -2.762400      0.8322000    
 H   0.4768000      -2.437200     -0.8921000    
 H    5.408200      -1.136700      0.6992000    
 H   -2.148200      0.8710000      -1.994100    
 H   -2.138300       2.272100     -0.9306000    
 H    3.392400       2.231300       1.688000    
 H    1.919600       1.331600       2.052800    
 H    3.499100      0.5687000       2.237500    
 H   -1.731300      -3.082900      0.3274000    
 H   -3.873100      -2.203800      0.3691000    
 H   -3.863400     -0.7613000       1.360600    
 H   -4.194300       1.581500      0.1453000    
 H   -4.411900       1.579300      -1.596000    
 H   -4.122200     -0.8720000      -1.697300    
 H   -2.241100       1.956000       1.484900    
 H    5.843200      -1.183200      -1.535600    
 H   -6.222100      -1.516100     -0.4775000    


%chk=000125444-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125444

0 1
O 5.242394 -1.659754 -1.076163
O 5.122629 1.234135 -0.960704
O -1.480000 0.628122 2.494220
O -6.699577 0.447265 -0.309705
C 0.793950 -0.698787 0.318555
C 2.265281 -0.611464 -0.124381
C -0.026228 0.393119 -0.439580
C 2.893091 0.801753 0.105787
C -1.546624 0.392957 0.016678
C 0.620916 1.811469 -0.359305
C 2.124893 1.834811 -0.740355
C 3.310881 -1.605094 0.455988
C 0.212830 -2.099838 0.020416
C -2.089903 -1.034870 0.165675
C 4.332865 0.504671 -0.312810
C 4.671800 -0.966211 0.086754
C -2.408652 1.175301 -1.028646
C 2.954801 1.222305 1.609936
C -1.293650 -2.134839 0.132344
C -3.590312 -1.153646 0.388891
C -3.924980 1.101268 -0.749689
C -4.400915 -0.361535 -0.686297
C -1.632304 1.145348 1.363785
C -5.891353 -0.504974 -0.423268
H 0.708230 -0.519415 1.409387
H 2.272239 -0.768086 -1.228526
H -0.036397 0.092569 -1.512287
H 0.513082 2.218113 0.664953
H 0.076963 2.506294 -1.026237
H 2.248055 1.589187 -1.813967
H 2.535095 2.851876 -0.596920
H 3.242599 -2.610891 0.010166
H 3.205407 -1.708863 1.551098
H 0.648089 -2.842065 0.718525
H 0.525039 -2.427559 -0.996414
H 5.400150 -0.972161 0.925285
H -2.197962 0.757690 -2.033601
H -2.093743 2.236621 -1.052559
H 3.461271 2.200121 1.700608
H 1.946321 1.317761 2.044896
H 3.510606 0.495052 2.227893
H -1.762565 -3.126381 0.217249
H -3.886400 -2.219457 0.392115
H -3.846961 -0.743587 1.388292
H -4.170820 1.598673 0.210146
H -4.484023 1.652100 -1.527719
H -4.208245 -0.858461 -1.665319
H -1.822017 2.248115 1.269899
H 5.914214 -1.051785 -1.487530
H -6.244259 -1.566874 -0.326557


