%chk=000041879.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041879

0 1
 O    4.720900      0.8411000      0.2736000    
 O    3.132900       2.172300     -0.7886000    
 C   -1.710200     -0.5775000     -0.2893000    
 C   -3.154300     -0.7768000      0.1754000    
 C  -0.8207000      -1.741900      0.1521000    
 C   -4.083700      0.3767000     -0.2139000    
 C   0.6308000      -1.529600     -0.2838000    
 C   -5.539900      0.2417000      0.2440000    
 C    1.525600      -2.679900      0.1881000    
 C   -6.478500       1.368700     -0.1933000    
 C    2.995700      -2.494800     -0.2009000    
 C   -7.919300       1.163100      0.2476000    
 C    3.621000      -1.284800      0.4292000    
 C    4.141500     -0.2714000     -0.2725000    
 C    4.111400       2.027400     -6.7199998E-02
 C    4.826900       3.165600      0.5995000    
 H   -1.685100     -0.4857000      -1.381700    
 H   -1.320700      0.3610000      0.1235000    
 H   -3.547000      -1.709700     -0.2474000    
 H   -3.171900     -0.8918000       1.266300    
 H   -1.200300      -2.678200     -0.2746000    
 H  -0.8641000      -1.842400       1.243500    
 H   -3.677300       1.311600      0.1925000    
 H   -4.069800      0.4833000      -1.305900    
 H   0.6814000      -1.449100      -1.376400    
 H   0.9876000     -0.5786000      0.1280000    
 H   -5.558000      0.1696000       1.338800    
 H   -5.934800     -0.7097000     -0.1343000    
 H    1.446600      -2.783600       1.277800    
 H    1.164300      -3.620700     -0.2454000    
 H   -6.452300       1.457200      -1.285800    
 H   -6.113300       2.320000      0.2113000    
 H    3.560000      -3.378000      0.1217000    
 H    3.079000      -2.452800      -1.293900    
 H   -7.988800       1.104800       1.338300    
 H   -8.328000      0.2388000     -0.1727000    
 H   -8.543200       1.996600     -9.0099998E-02
 H    3.649400      -1.245400       1.515100    
 H    4.157300     -0.2471000      -1.354800    
 H    4.758800       3.060200       1.685100    
 H    4.356800       4.109500      0.3094000    
 H    5.871500       3.185300      0.2788000    


%chk=000041879-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041879

0 1
O 4.681658 1.012760 0.479849
O 5.206761 2.181113 -1.482684
C -1.946223 -0.567297 -0.266298
C -3.392665 -0.795476 0.227282
C -0.961398 -1.666203 0.193190
C -4.380467 0.295415 -0.244682
C 0.488535 -1.424781 -0.283023
C -5.825595 0.072991 0.255303
C 1.462299 -2.541420 0.153728
C -6.813998 1.160720 -0.223951
C 2.931952 -2.299051 -0.293024
C -8.255177 0.932069 0.280836
C 3.575379 -1.114672 0.395984
C 4.090845 -0.053018 -0.262996
C 5.223028 2.107503 -0.236744
C 5.792606 3.116625 0.731702
H -1.941336 -0.512458 -1.375149
H -1.587174 0.419499 0.094005
H -3.748106 -1.787042 -0.123988
H -3.398747 -0.839510 1.336728
H -1.313521 -2.651337 -0.179360
H -0.976548 -1.730818 1.301618
H -4.022029 1.287887 0.100877
H -4.378632 0.334846 -1.354329
H 0.503069 -1.342008 -1.390303
H 0.847959 -0.450349 0.104875
H -5.829984 0.039542 1.365183
H -6.184114 -0.921040 -0.085809
H 1.429719 -2.647836 1.258114
H 1.119752 -3.510093 -0.263664
H -6.809345 1.192735 -1.332798
H -6.454912 2.153666 0.116223
H 3.522971 -3.210670 -0.065756
H 2.966828 -2.163239 -1.391904
H -8.291448 0.927659 1.386798
H -8.648532 -0.040842 -0.070168
H -8.941089 1.722335 -0.076344
H 3.617524 -1.128506 1.494344
H 4.104850 0.078251 -1.350317
H 5.000745 3.481705 1.408614
H 6.224764 3.960590 0.175580
H 6.567997 2.644753 1.359557


