%chk=000102328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102328

0 1
 O    5.213300      -1.135100     -0.6828000    
 O   -5.480900      0.6527000       1.125300    
 O   -6.202200      -1.590800     -0.1012000    
 C    2.197000      0.7805000      0.1061000    
 C    2.843900     -0.4796000     -0.5089000    
 C   0.7647000       1.022600     -0.3869000    
 C  -0.1156000     -0.2133000     -2.5300000E-02
 C   -1.623600     -4.0800001E-02 -0.4581000    
 C    2.001800      -1.697900     -8.9000002E-02
 C    4.283500     -0.3767000      7.9599999E-02
 C   0.5269000      -1.544300     -0.5038000    
 C    3.242700       1.868700     -0.1273000    
 C   0.1681000       2.288800      0.2410000    
 C    4.598000       1.138000     -3.4299999E-02
 C    2.918300     -0.4447000      -2.064200    
 C   -2.148900       1.325000      3.8000001E-03
 C   -1.257800       2.519700     -0.2396000    
 C   -2.451600      -1.179400      0.2086000    
 C   -1.800800     -0.1226000      -1.992100    
 C    4.376700     -0.8104000       1.487600    
 C   -3.362100       1.510900      0.5535000    
 C   -3.925400     -0.9182000      0.2238000    
 C   -4.362100      0.4245000      0.6795000    
 C   -4.856300      -1.814100     -0.1281000    
 C    4.452300      -1.163400       2.632500    
 H    2.129400      0.6477000       1.197700    
 H   0.7754000       1.164800      -1.473000    
 H  -0.1139000     -0.2674000       1.075800    
 H    2.021300      -1.833300      0.9986000    
 H    2.412100      -2.617700     -0.5229000    
 H   0.4500000      -1.636800      -1.591200    
 H  -2.2700001E-02  -2.395200     -8.6000003E-02
 H    3.172200       2.665800      0.6200000    
 H    3.128200       2.330600      -1.114400    
 H   0.7731000       3.163800     -2.3499999E-02
 H   0.1819000       2.211800       1.335900    
 H    5.197500       1.355900     -0.9265000    
 H    5.172900       1.508000      0.8234000    
 H    3.544000      0.3729000      -2.435700    
 H    3.344000      -1.377900      -2.451100    
 H    1.939800     -0.3275000      -2.536400    
 H   -1.248400       2.738800      -1.314700    
 H   -1.651800       3.417100      0.2532000    
 H   -2.135600      -1.305800       1.253800    
 H   -2.248600      -2.135800     -0.2896000    
 H   -1.149200      0.5800000      -2.521200    
 H   -1.580800      -1.125900      -2.371500    
 H   -2.830400      0.1091000      -2.290600    
 H    4.922100      -2.063100     -0.6746000    
 H   -3.695900       2.498100      0.8586000    
 H   -4.620500      -2.814600     -0.4652000    
 H    4.518400      -1.476500       3.648100    
 H   -6.633600      -2.408800     -0.4041000    


%chk=000102328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102328

0 1
O 5.306328 -1.184472 -0.670985
O -5.614878 0.732842 1.081844
O -6.206210 -1.824442 -0.126291
C 2.202044 0.786354 0.063366
C 2.825071 -0.506865 -0.543343
C 0.759651 1.056736 -0.414801
C -0.132069 -0.172386 -0.041497
C -1.652233 0.002457 -0.443917
C 1.957320 -1.713863 -0.121034
C 4.280927 -0.420958 0.081254
C 0.477931 -1.512075 -0.547446
C 3.287559 1.874042 -0.165079
C 0.189930 2.341228 0.225994
C 4.642863 1.098503 -0.072664
C 2.959971 -0.452425 -2.087356
C -2.162465 1.371296 0.045033
C -1.276124 2.578538 -0.202121
C -2.478184 -1.124670 0.256672
C -1.872384 -0.065899 -1.987627
C 4.312947 -0.846498 1.498303
C -3.404309 1.523788 0.603321
C -3.982128 -0.893122 0.250144
C -4.433034 0.455947 0.691475
C -4.816215 -1.914078 -0.115038
C 4.388491 -1.223731 2.670341
H 2.138733 0.614985 1.162436
H 0.763595 1.192376 -1.517621
H -0.120216 -0.214801 1.073350
H 2.007298 -1.834058 0.979285
H 2.339875 -2.654036 -0.568847
H 0.405015 -1.564895 -1.649879
H -0.112608 -2.361180 -0.155330
H 3.223040 2.681064 0.584834
H 3.167357 2.342643 -1.160477
H 0.803995 3.215993 -0.060950
H 0.245829 2.253030 1.330857
H 5.242504 1.198557 -0.993759
H 5.267626 1.441613 0.767726
H 3.536722 0.424051 -2.428120
H 3.492958 -1.347437 -2.451537
H 1.972553 -0.414968 -2.577601
H -1.284013 2.806840 -1.290194
H -1.698148 3.464622 0.306449
H -2.131393 -1.183151 1.310814
H -2.247032 -2.100292 -0.211147
H -1.293687 0.707564 -2.523090
H -1.575713 -1.051325 -2.389967
H -2.940748 0.084574 -2.223809
H 5.273337 -2.132197 -0.379961
H -3.746074 2.514118 0.932760
H -4.383842 -2.875816 -0.438234
H 4.454424 -1.540750 3.694956
H -6.611385 -2.655171 -0.478890


