%chk=000064981.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064981

0 1
 O   -4.614800       1.275700      0.3419000    
 O   -4.583500      0.4286000      -1.787000    
 O    2.246700       1.315200      -2.192400    
 O    1.496700      -2.659700       2.086600    
 O    3.912100       1.636700      8.8999998E-03
 O    2.465700      -3.639100     -0.3268000    
 C   -2.362500      0.9691000      0.9168000    
 C   -2.659000      0.1441000     -0.3310000    
 C   -3.746800       1.223300       1.479400    
 C   -1.666500       2.285300      0.5586000    
 C   -2.687100      -1.353900     -6.1299998E-02
 C   -4.038600      0.6196000     -0.7102000    
 C  -0.1771000       2.111500      0.4086000    
 C   -1.310500      -1.963700     -0.1290000    
 C   0.3499000       1.790800     -0.8337000    
 C   0.6432000       2.274300       1.515100    
 C  -0.5373000      -2.029700       1.020600    
 C  -0.8385000      -2.448600      -1.339700    
 C    1.728500       1.629300     -0.9726000    
 C    2.021600       2.112900       1.376400    
 C   0.7371000      -2.593600      0.9579000    
 C   0.4356000      -3.012400      -1.402400    
 C    2.564300       1.790500      0.1326000    
 C    1.223400      -3.085000     -0.2536000    
 C    2.376700     -7.0500001E-02  -2.504400    
 C    2.351000      -1.550400       2.358900    
 C    4.669900       2.799800     -0.3183000    
 H   -1.760200      0.4436000       1.663600    
 H   -1.992000      0.3780000      -1.163900    
 H   -3.827000       2.158300       2.041700    
 H   -4.084200      0.4043000       2.124100    
 H   -1.840400       3.030100       1.347100    
 H   -2.085800       2.732700     -0.3524000    
 H   -3.328100      -1.861800     -0.7952000    
 H   -3.147200      -1.580800      0.9096000    
 H  -0.2890000       1.684100      -1.705400    
 H   0.2305000       2.521700       2.489000    
 H  -0.9139000      -1.662600       1.971000    
 H   -1.442700      -2.393500      -2.240700    
 H    2.666500       2.237500       2.242000    
 H   0.8094000      -3.391900      -2.349500    
 H    2.857800      -3.637600      0.5633000    
 H    2.986800     -0.1621000      -3.407100    
 H    2.869700     -0.6146000      -1.692600    
 H    1.390500     -0.4969000      -2.706200    
 H    1.752800     -0.6857000       2.659700    
 H    3.012000      -1.822100       3.186500    
 H    2.965300      -1.300900       1.487800    
 H    5.722900       2.513900     -0.3886000    
 H    4.564500       3.558500      0.4636000    
 H    4.352900       3.207600      -1.283300    


%chk=000064981-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064981

0 1
O -4.809183 1.273955 0.293603
O -4.709063 0.203684 -1.764993
O 2.215359 1.427702 -2.284273
O 2.087048 -2.362075 1.637143
O 3.967969 1.487427 0.075009
O 2.705582 -3.343149 -0.766381
C -2.485804 1.075982 0.994316
C -2.733329 0.142047 -0.223652
C -3.928500 1.363660 1.493964
C -1.725678 2.388401 0.620878
C -2.654108 -1.398747 0.076544
C -4.151124 0.510810 -0.699942
C -0.230099 2.173444 0.436693
C -1.250696 -1.959143 -0.105829
C 0.338946 1.921252 -0.834867
C 0.627060 2.177402 1.569092
C -0.285276 -1.895804 0.935877
C -0.873569 -2.513945 -1.353420
C 1.720019 1.666226 -0.983838
C 2.013743 1.958839 1.428350
C 1.023151 -2.361700 0.711392
C 0.440037 -2.986991 -1.579839
C 2.574721 1.714110 0.156017
C 1.394123 -2.904569 -0.551954
C 2.820823 0.084714 -2.482175
C 1.870373 -1.707511 2.928081
C 4.709464 2.456311 -0.768011
H -1.910715 0.558834 1.783536
H -2.033990 0.352001 -1.050896
H -4.058847 2.376056 1.908695
H -4.283628 0.613700 2.224243
H -1.886441 3.119572 1.437210
H -2.178426 2.823922 -0.290859
H -3.339866 -1.915045 -0.620049
H -3.029878 -1.585590 1.101684
H -0.277338 1.909964 -1.741159
H 0.210350 2.385932 2.562517
H -0.562926 -1.479880 1.910299
H -1.612774 -2.576049 -2.160180
H 2.691008 2.001012 2.288208
H 0.734004 -3.421836 -2.539808
H 3.222572 -3.192949 0.069956
H 3.205223 0.089141 -3.513202
H 3.639766 -0.091571 -1.762178
H 2.048125 -0.695984 -2.366577
H 1.082801 -2.227208 3.507222
H 2.830764 -1.781648 3.458922
H 1.599842 -0.644618 2.783206
H 5.752631 2.105704 -0.765759
H 4.649684 3.467330 -0.322367
H 4.307369 2.476778 -1.796450


