%chk=000101328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101328

0 1
 O    3.965500       2.167700     -0.2257000    
 O    5.767600      0.6541000      0.2926000    
 O   -1.959200      -2.540800     -0.4564000    
 C    3.539300      0.8817000     -9.5899999E-02
 C    4.568300      1.7500000E-02  0.2000000    
 C    1.994800     -0.9232000     -6.6799998E-02
 C    2.239000      0.4418000     -0.2359000    
 C    4.354000      -1.334600      0.3720000    
 C    3.046300      -1.806300      0.2355000    
 C    5.378100       2.016000      2.2399999E-02
 C   0.6405000      -1.436900     -0.2043000    
 C   -3.020400     -0.4784000     -0.1031000    
 C   -5.251300       1.125400      0.1722000    
 C   -1.822600      -1.339800     -0.2511000    
 C  -0.4865000     -0.6966000     -0.1098000    
 C   -2.936200      0.8520000     -0.4626000    
 C   -4.185500      -1.031900      0.3898000    
 C   -4.063000       1.662200     -0.3235000    
 C   -5.312500     -0.2218000      0.5289000    
 C   -6.456100       1.992000      0.3216000    
 H    1.467100       1.159700     -0.4891000    
 H    5.167600      -2.012000      0.6051000    
 H    2.857100      -2.869300      0.3690000    
 H    5.651800       2.636700      0.8833000    
 H    5.928700       2.370700     -0.8564000    
 H   0.5652000      -2.503400     -0.4049000    
 H  -0.4419000      0.3540000      0.1449000    
 H   -2.045300       1.299500     -0.8905000    
 H   -4.247600      -2.077700      0.6760000    
 H   -4.006500       2.707800     -0.6146000    
 H   -6.232600     -0.6519000      0.9157000    
 H   -7.083900       1.655700       1.153700    
 H   -6.173200       3.028900      0.5329000    
 H   -7.050300       1.970700     -0.5973000    


%chk=000101328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101328

0 1
O 4.324139 2.175335 -0.036102
O 6.045975 0.501975 -0.016063
O -1.901111 -2.492096 0.215191
C 3.752175 0.878641 -0.008374
C 4.771849 -0.104179 0.004989
C 2.060412 -0.842751 0.071444
C 2.402697 0.551635 0.025138
C 4.474442 -1.468356 0.054235
C 3.101463 -1.818322 0.085582
C 5.789982 1.964296 -0.152950
C 0.674913 -1.312977 0.107232
C -3.048258 -0.375482 0.110389
C -5.512654 1.095368 0.054734
C -1.802414 -1.219023 0.143047
C -0.472176 -0.560416 0.094121
C -3.049869 1.038917 -0.022836
C -4.301462 -1.041486 0.213642
C -4.263952 1.758292 -0.050795
C -5.507101 -0.321337 0.187151
C -6.819214 1.866342 0.030384
H 1.637552 1.331357 0.018581
H 5.262789 -2.224392 0.067979
H 2.825397 -2.877789 0.121206
H 6.297721 2.493307 0.669211
H 6.125784 2.292064 -1.153094
H 0.526372 -2.402290 0.150729
H -0.425816 0.532215 0.052865
H -2.112035 1.596064 -0.112298
H -4.289553 -2.131999 0.312631
H -4.242832 2.849509 -0.156526
H -6.461349 -0.856311 0.269156
H -7.377236 1.735271 0.976873
H -6.651974 2.946930 -0.115881
H -7.478357 1.511188 -0.783891


