%chk=000047498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047498

0 1
 O   -2.604900       1.629100      -1.527600    
 O   -4.086900      0.9768000       1.699400    
 C   -1.496800      9.1799997E-02 -0.1025000    
 C   -2.545000       1.196600     -0.1679000    
 C  -9.3999997E-02  0.3814000     -5.9300002E-02
 C   -3.956200      0.7809000      0.2914000    
 C   -1.940800      -1.245000     -0.1525000    
 C   0.8562000     -0.6800000     -2.4300000E-02
 C    2.270400     -0.3929000      3.5500001E-02
 C   -4.297700     -0.6433000     -1.7000001E-02
 C   -3.365500      -1.575800     -0.2389000    
 C   -1.012000      -2.279000     -0.1326000    
 C   0.3513000      -1.998900     -6.0300000E-02
 C   0.4021000       1.699500     -5.8699999E-02
 C    2.703900      0.9552000      4.4500001E-02
 C    1.765000       1.981100     -6.3999998E-03
 C    3.290700      -1.379100      8.5900001E-02
 C    4.071900       1.275000      0.1004000    
 C    4.648700      -1.051200      0.1419000    
 C    5.039600      0.2777000      0.1489000    
 H   -2.234100       2.048600      0.4447000    
 H   -4.700300       1.422900     -0.1960000    
 H   -5.347100     -0.9223000     -4.3900002E-02
 H   -3.654100      -2.600700     -0.4466000    
 H   -1.330800      -3.318400     -0.1681000    
 H    1.015900      -2.858800     -4.3000001E-02
 H  -0.2658000       2.555900     -0.1056000    
 H    2.078300       3.023700     -7.0000002E-03
 H    3.049800      -2.438900      8.4500000E-02
 H   -2.882500      0.8751000      -2.075700    
 H    4.397500       2.313800      0.1062000    
 H   -3.962500       1.924700       1.876500    
 H    5.395100      -1.839300      0.1797000    
 H    6.092400      0.5391000      0.1920000    


%chk=000047498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047498

0 1
O -2.590529 1.780422 -1.508224
O -4.187844 0.964665 1.750363
C -1.508061 0.063545 -0.089925
C -2.542435 1.176551 -0.144021
C -0.102602 0.362271 -0.058737
C -3.983693 0.783283 0.288742
C -1.950417 -1.280165 -0.139943
C 0.864316 -0.712869 -0.032150
C 2.296150 -0.403809 0.026627
C -4.348880 -0.650769 0.003636
C -3.386753 -1.597102 -0.179761
C -0.986454 -2.333002 -0.144176
C 0.380049 -2.056257 -0.079472
C 0.373725 1.730517 -0.076652
C 2.717570 0.975423 0.029077
C 1.722841 2.021015 -0.034173
C 3.308431 -1.412101 0.083885
C 4.109025 1.294993 0.085246
C 4.668986 -1.078735 0.139506
C 5.077440 0.285918 0.139785
H -2.236627 2.022714 0.496490
H -4.654597 1.470278 -0.270338
H -5.412269 -0.911097 0.015227
H -3.666823 -2.646135 -0.338165
H -1.334208 -3.371968 -0.185032
H 1.084629 -2.892691 -0.073825
H -0.350766 2.544700 -0.158713
H 2.064074 3.062945 -0.054470
H 3.030002 -2.470234 0.089779
H -2.525192 1.048635 -2.174233
H 4.407880 2.350016 0.084990
H -4.249694 1.937427 1.938469
H 5.422469 -1.872774 0.184469
H 6.142056 0.539691 0.183320


