%chk=000020503.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020503

0 1
 O   0.4474000       2.193000      -1.395100    
 O    1.553900      -2.299300     -0.3464000    
 O    5.632300      -1.526900      0.7541000    
 O   -6.382400     -0.3149000       1.772400    
 O    7.123100     -0.1682000     -0.3537000    
 C   0.4078000       1.368900     -0.2227000    
 C    1.426100      0.1648000     -0.3519000    
 C   -1.062100      0.9337000      5.9799999E-02
 C   -1.537800     -0.1691000     -0.9235000    
 C   -3.035800     -0.6186000     -0.6896000    
 C   0.6988000      -1.183200     -0.1075000    
 C    2.465300      0.4323000      0.7945000    
 C  -0.5378000      -1.348700     -0.9921000    
 C   -3.960800      0.6446000     -0.6562000    
 C   0.9538000       2.252600      0.9195000    
 C   -2.024500       2.132200      2.3600001E-02
 C    2.441800       1.948700      0.9647000    
 C   -3.456500       1.718500      0.3238000    
 C   -3.203800      -1.411000      0.6399000    
 C    2.130600      0.1494000      -1.734700    
 C   -3.458300      -1.518500      -1.882800    
 C   -5.425200      0.3109000     -0.3321000    
 C    3.854100     -9.1600001E-02  0.6163000    
 C   -4.650500      -1.761800      0.9761000    
 C   -5.537200     -0.5440000      0.9080000    
 C    4.254500      -1.418500       1.127100    
 C    4.870500      0.5180000      1.2200000E-02
 C    6.012800     -0.3933000      9.6100003E-02
 H   -1.094600      0.5184000       1.075800    
 H   -1.516300      0.2934000      -1.923100    
 H   0.3885000      -1.251800      0.9427000    
 H    2.077700      1.1900000E-02   1.734700    
 H   -1.006100      -2.303900     -0.7359000    
 H  -0.2293000      -1.490700      -2.036700    
 H   -3.950400       1.100200      -1.657000    
 H   0.5076000       1.974300       1.882300    
 H   0.7788000       3.322100      0.7601000    
 H   -1.996800       2.617200     -0.9599000    
 H   -1.718400       2.887200      0.7566000    
 H    2.950200       2.481800      0.1538000    
 H    2.886800       2.269000       1.912800    
 H   -3.524600       1.369400       1.360800    
 H   -4.097200       2.606700      0.2562000    
 H   -2.793400     -0.8337000       1.475800    
 H   -2.634300      -2.346100      0.6137000    
 H    2.725200       1.053000      -1.905100    
 H    2.801800     -0.7085000      -1.847900    
 H    1.400500      8.6199999E-02  -2.549100    
 H   -3.313500     -0.9953000      -2.834900    
 H   -2.875900      -2.444300      -1.922600    
 H   -4.509400      -1.816000      -1.837200    
 H   -5.901600     -0.2290000      -1.156800    
 H   -6.002600       1.230300     -0.1799000    
 H    1.307900       2.641900      -1.439300    
 H   -4.697700      -2.175800       1.989500    
 H   -5.049600      -2.517900      0.2928000    
 H    1.059000      -3.105500     -0.1213000    
 H    4.177100      -1.482700       2.216400    
 H    3.716000      -2.247400      0.6695000    
 H    4.903300       1.482200     -0.4640000    


%chk=000020503-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020503

0 1
O 0.230318 2.085219 -1.648052
O 1.616846 -2.257968 -0.434515
O 5.561722 -1.722674 0.994217
O -6.273364 -0.382793 2.022607
O 7.304224 -0.424810 0.106353
C 0.380225 1.416933 -0.335515
C 1.442185 0.195679 -0.411236
C -1.063744 0.959242 0.018929
C -1.579466 -0.106828 -0.994039
C -3.046244 -0.608876 -0.690577
C 0.672855 -1.138001 -0.214174
C 2.439417 0.502284 0.793615
C -0.541816 -1.268490 -1.156043
C -3.993879 0.641826 -0.570143
C 0.957771 2.409290 0.722843
C -2.040150 2.157647 0.083897
C 2.445700 2.048692 0.876584
C -3.465541 1.694715 0.434845
C -3.111544 -1.434493 0.631455
C 2.200782 0.183198 -1.759671
C -3.507001 -1.479043 -1.894421
C -5.452977 0.240173 -0.197668
C 3.815721 -0.110198 0.720719
C -4.555796 -1.827626 1.053081
C -5.504282 -0.629956 1.054964
C 4.114183 -1.513066 1.216930
C 4.981137 0.436198 0.264672
C 6.101257 -0.527292 0.405774
H -1.013602 0.513906 1.035258
H -1.639523 0.422022 -1.966651
H 0.319180 -1.196417 0.838657
H 1.944210 0.119029 1.713468
H -1.015169 -2.250692 -0.954733
H -0.170343 -1.314533 -2.195860
H -4.023115 1.125534 -1.570383
H 0.444699 2.261112 1.692918
H 0.777481 3.453658 0.415567
H -2.036272 2.669204 -0.896568
H -1.694054 2.894790 0.833212
H 3.045516 2.476222 0.049368
H 2.887747 2.411745 1.820615
H -3.490141 1.286846 1.466416
H -4.151939 2.563979 0.435813
H -2.655215 -0.857461 1.458240
H -2.515555 -2.362233 0.530127
H 2.856318 1.068193 -1.870599
H 2.841013 -0.710183 -1.821023
H 1.500812 0.171967 -2.610696
H -3.472874 -0.889379 -2.830120
H -2.857382 -2.361745 -2.032195
H -4.538231 -1.854463 -1.775891
H -5.911600 -0.330437 -1.030545
H -6.074436 1.138159 -0.031834
H 1.109178 2.437160 -1.935825
H -4.567357 -2.292931 2.054048
H -4.957277 -2.573951 0.336912
H 1.098411 -3.095740 -0.535974
H 3.913529 -1.626766 2.299654
H 3.541294 -2.269747 0.653949
H 5.144959 1.430767 -0.148154


