%chk=000006013.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006013

0 1
 O   -5.168800       1.064200      0.3614000    
 O    5.592500     -0.1426000      0.9668000    
 C   -1.998700     -0.7358000      0.3563000    
 C   -2.781000      0.5499000      2.6699999E-02
 C  -0.6213000     -0.7773000     -0.3126000    
 C   0.2144000      0.4455000      0.1817000    
 C    1.673500      0.4721000     -0.4175000    
 C   -1.990400       1.741700      0.5808000    
 C  -0.5597000       1.782900      1.4100000E-02
 C   -4.093200      0.2436000      0.7739000    
 C   -3.002200      -1.848200      6.2700003E-02
 C   0.1166000      -2.083400      6.6000000E-03
 C   -4.358600      -1.243500      0.4681000    
 C    2.326600     -0.9044000     -0.2374000    
 C    1.499100      -2.104800     -0.6325000    
 C   -3.058900      0.7693000      -1.482300    
 C    2.494400       1.554200      0.3431000    
 C    1.673400      0.8119000      -1.925200    
 C    3.996300       1.436900      0.1370000    
 C    3.576000      -1.088800      0.2213000    
 C    4.470000      5.6499999E-02  0.5068000    
 H   -1.823300     -0.7663000       1.445100    
 H  -0.7472000     -0.7247000      -1.399500    
 H   0.3290000      0.3087000       1.269600    
 H   -1.929300       1.677000       1.675000    
 H   -2.503300       2.684700      0.3563000    
 H  -0.6041000       2.065600      -1.042200    
 H  -2.5100000E-02   2.590600      0.5260000    
 H   -3.966300      0.3777000       1.855000    
 H   -2.785900      -2.757500      0.6327000    
 H   -3.005600      -2.115300      -1.000000    
 H  -0.4556000      -2.941400     -0.3650000    
 H   0.2096000      -2.209600       1.093200    
 H   -5.099200      -1.385200     -0.3267000    
 H   -4.754000      -1.742400       1.360300    
 H    1.398100      -2.123000      -1.724700    
 H    1.998400      -3.041500     -0.3556000    
 H   -3.668000     -2.9400000E-02  -1.917200    
 H   -3.595300       1.711400      -1.644400    
 H   -2.142700      0.8240000      -2.076200    
 H    2.293500       1.474800       1.420800    
 H    2.181000       2.561100      4.2800002E-02
 H   0.9981000      0.1670000      -2.495900    
 H    1.368200       1.848000      -2.105300    
 H    2.670900      0.6934000      -2.364500    
 H    4.504500       2.163000      0.7812000    
 H    4.282900       1.642000     -0.8991000    
 H    3.999700      -2.079500      0.3474000    
 H   -5.448100      0.7930000     -0.5287000    


%chk=000006013-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006013

0 1
O -5.255495 1.140334 0.479065
O 5.722979 -0.100130 0.968099
C -2.013580 -0.749869 0.322569
C -2.795282 0.563990 0.025397
C -0.618008 -0.799373 -0.333530
C 0.217331 0.423631 0.170845
C 1.689152 0.468849 -0.418141
C -1.978965 1.744444 0.595176
C -0.545021 1.770961 -0.001038
C -4.129131 0.247214 0.774266
C -3.036911 -1.880433 0.029743
C 0.117194 -2.116077 -0.003200
C -4.411453 -1.260363 0.453403
C 2.351823 -0.906392 -0.213813
C 1.543377 -2.129760 -0.604124
C -3.097414 0.782236 -1.480351
C 2.496708 1.564523 0.346205
C 1.689476 0.782326 -1.949717
C 4.023743 1.468074 0.154309
C 3.634641 -1.047662 0.254730
C 4.549615 0.080732 0.517214
H -1.840152 -0.754540 1.424903
H -0.736874 -0.739136 -1.436724
H 0.340560 0.263332 1.268013
H -1.914278 1.638907 1.698704
H -2.486797 2.707893 0.395359
H -0.605682 2.035962 -1.073821
H 0.023056 2.584064 0.487620
H -3.975725 0.392847 1.859537
H -2.810259 -2.804606 0.589471
H -3.031745 -2.143118 -1.045649
H -0.452303 -2.981997 -0.391082
H 0.177919 -2.233845 1.098476
H -5.155747 -1.336527 -0.363448
H -4.850230 -1.772466 1.326825
H 1.449828 -2.155786 -1.711371
H 2.084569 -3.048259 -0.312434
H -3.699135 -0.039728 -1.911555
H -3.657091 1.726505 -1.615347
H -2.177988 0.859230 -2.084097
H 2.271269 1.473944 1.428388
H 2.153587 2.566414 0.029239
H 1.067097 0.069285 -2.518562
H 1.303879 1.799127 -2.142718
H 2.713490 0.728399 -2.360128
H 4.557525 2.220098 0.761766
H 4.297490 1.664616 -0.902759
H 4.060617 -2.047650 0.410985
H -5.580759 0.945882 -0.436496


