%chk=000044922.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044922

0 1
 O    5.987600     -0.7267000      0.4174000    
 O    8.039800     -0.1020000     -0.5412000    
 O    3.497100      0.6709000      0.2054000    
 O   -2.802000      -1.522100     -6.0500000E-02
 O    1.813400      0.8958000      -1.355200    
 O   -4.785800       2.265500     -0.4778000    
 C    7.395700      -1.010400      0.3674000    
 C    5.850300      0.5378000     -0.2367000    
 C    6.967400      0.5189000      -1.251500    
 C    4.470600      0.6758000     -0.8438000    
 C    7.997700     -0.8213000       1.753800    
 C    7.585600      -2.438300     -0.1289000    
 C    1.289700      0.7698000       1.017400    
 C  -0.1605000      0.8368000      0.6792000    
 C    2.196600      0.7892000     -0.1981000    
 C   -2.908300      0.9489000      5.5700000E-02
 C   -2.249400     -0.2862000      0.1363000    
 C  -0.8859000     -0.3326000      0.4684000    
 C   -5.115400      -1.229600     -0.4872000    
 C   -5.370600      7.0500001E-02 -4.4100001E-02
 C   -3.790000      -1.577400      -1.082100    
 C   -4.368600       1.147400     -0.1817000    
 C  -0.7957000       2.066100      0.5702000    
 C   -2.157200       2.122000      0.2658000    
 C   -6.115800      -2.203700     -0.3593000    
 C   -6.621400      0.3962000      0.4993000    
 C   -7.355900      -1.880700      0.1919000    
 C   -7.608900     -0.5806000      0.6197000    
 H    6.018100       1.308900      0.5255000    
 H    6.732100     -0.1031000      -2.122400    
 H    7.260100       1.516200      -1.590300    
 H    4.263300     -0.1704000      -1.509800    
 H    4.395800       1.614000      -1.405200    
 H    7.858500      0.2106000       2.096100    
 H    7.515400      -1.473600       2.489200    
 H    9.075200      -1.017000       1.749700    
 H    7.142800      -2.561600      -1.124000    
 H    8.647400      -2.691900     -0.2138000    
 H    7.094500      -3.158300      0.5338000    
 H    1.561400       1.615900       1.660400    
 H    1.494600     -0.1468000       1.584200    
 H  -0.3872000      -1.297500      0.5440000    
 H   -3.797600      -2.605200      -1.463100    
 H   -3.544100     -0.9399000      -1.942300    
 H  -0.2486000       2.991700      0.7291000    
 H   -2.620900       3.104900      0.2159000    
 H   -5.936600      -3.223500     -0.6910000    
 H   -6.838700       1.405200      0.8411000    
 H   -8.123800      -2.643000      0.2851000    
 H   -8.574800     -0.3268000       1.046500    


%chk=000044922-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044922

0 1
O 6.083529 -0.291102 0.566350
O 7.767312 0.429061 -0.947175
O 3.142363 0.163568 0.196652
O -2.923483 -1.665908 -0.368862
O 2.148499 -1.943790 0.009039
O -4.282900 2.562006 -0.059536
C 7.562185 -0.312436 0.327406
C 5.442032 0.471640 -0.529727
C 6.485692 0.393551 -1.667820
C 4.111314 -0.177800 -0.879850
C 8.287433 0.458971 1.428721
C 7.994329 -1.776550 0.187525
C 1.312766 -0.318166 1.676986
C -0.068325 0.066959 1.150455
C 2.218031 -0.821320 0.555557
C -2.685934 0.784082 0.188293
C -2.223673 -0.572215 0.155160
C -0.944882 -0.917536 0.657983
C -5.234181 -0.884637 -0.802616
C -5.272984 0.396007 -0.185291
C -3.946122 -1.383142 -1.405873
C -4.076559 1.303509 -0.066744
C -0.479868 1.428550 1.123835
C -1.756072 1.764543 0.657400
C -6.414593 -1.659135 -0.882767
C -6.504537 0.883372 0.326571
C -7.632374 -1.174563 -0.356417
C -7.675700 0.103391 0.249542
H 5.286088 1.520059 -0.207401
H 6.377353 -0.546491 -2.249230
H 6.471864 1.260239 -2.346549
H 4.204740 -1.274717 -0.955853
H 3.706577 0.231370 -1.824690
H 7.878732 1.479554 1.504772
H 8.157894 -0.051682 2.398039
H 9.365365 0.523225 1.199979
H 7.512923 -2.240263 -0.690307
H 9.089589 -1.842136 0.068470
H 7.697356 -2.344034 1.086213
H 1.791964 0.541823 2.169201
H 1.219460 -1.141725 2.407329
H -0.640801 -1.967970 0.607223
H -4.085276 -2.350386 -1.913300
H -3.518327 -0.651021 -2.120362
H 0.197210 2.210137 1.484842
H -2.105870 2.801734 0.669208
H -6.379548 -2.643320 -1.364622
H -6.517014 1.881306 0.775459
H -8.539700 -1.784848 -0.422273
H -8.616875 0.487033 0.657555


