%chk=000120923.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120923

0 1
 O  -0.3440000       3.291300     -0.1763000    
 O    4.647900      -1.624500       2.550500    
 O    1.947300       4.024800     -0.2997000    
 O    4.170600       2.232500     -0.2164000    
 O    2.620000      -4.017500      -1.693200    
 O    1.975400      -1.946600      -2.394400    
 O   -3.929300     -0.3905000      -2.140500    
 O   -3.762100      2.6000001E-02   2.627600    
 O   -5.186500     -0.5466000      0.3224000    
 C    3.379200      -1.963600      0.5550000    
 C    2.046300      -2.456700     -2.7700000E-02
 C    3.743600     -0.5710000      1.4000000E-02
 C   0.8910000      -1.480400      0.2125000    
 C    1.250700     -2.2200000E-02  5.0900001E-02
 C    2.598700      0.4114000     -1.5000000E-03
 C    3.358200      -1.972000       2.088600    
 C   0.2085000      0.9210000      5.2000000E-03
 C    2.891200       1.780400     -0.1323000    
 C    2.199300      -2.744100      -1.496000    
 C   0.5360000       2.255200     -0.1131000    
 C    1.841500       2.673300     -0.1813000    
 C   -1.189100      0.5405000      8.7399997E-02
 C   0.5577000       4.410500     -0.2943000    
 C   -1.814900      0.4637000       1.329300    
 C   -1.899400      0.2538000      -1.076100    
 C   -3.243200     -0.1119000     -0.9970000    
 C   -3.158700      9.7999997E-02   1.408300    
 C   -3.872900     -0.1898000      0.2452000    
 C   -3.211400     -0.2871000      -3.368500    
 C   -3.711700      -1.229300       3.302600    
 C   -5.539900      -1.828800     -0.1910000    
 H    4.185000      -2.641500      0.2389000    
 H    1.762100      -3.407400      0.4454000    
 H    4.100300     -0.6753000      -1.019300    
 H    4.581500     -0.1735000      0.5972000    
 H   0.5311000      -1.619500       1.240500    
 H   6.7900002E-02  -1.749600     -0.4602000    
 H    3.104700      -2.963700       2.477400    
 H    2.644500      -1.252100       2.499700    
 H    5.269300      -2.303700       2.237500    
 H   0.3372000       4.942000      -1.227300    
 H   0.3852000       5.090600      0.5477000    
 H   -1.265500      0.6868000       2.241500    
 H   -1.359000      0.3299000      -2.014400    
 H    4.769500       1.517700     -0.4832000    
 H    2.725600      -4.224800      -2.646100    
 H   -2.391300      -1.011500      -3.419100    
 H   -2.875700      0.7387000      -3.555200    
 H   -3.910100     -0.5430000      -4.171900    
 H   -4.206700      -2.006200       2.711900    
 H   -4.237600      -1.127000       4.255800    
 H   -2.674300      -1.514600       3.504000    
 H   -4.706200      -2.538200     -0.1431000    
 H   -5.901300      -1.734400      -1.218800    
 H   -6.357400      -2.222500      0.4203000    


%chk=000120923-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120923

0 1
O -0.288760 3.327295 0.395988
O 5.247705 -2.062126 1.966556
O 1.953291 4.138346 0.182707
O 4.281412 2.395502 -0.178461
O 3.192757 -2.792556 -2.606824
O 0.980443 -2.122625 -2.534935
O -3.593376 -1.395747 -1.890128
O -4.089473 0.827359 2.464271
O -5.271863 -0.625870 0.189562
C 3.651808 -1.980624 0.049985
C 2.227822 -2.399923 -0.403260
C 3.916568 -0.490737 -0.263317
C 1.145875 -1.538105 0.278044
C 1.399498 -0.035813 0.153881
C 2.732147 0.440153 -0.000001
C 3.849654 -2.268303 1.558170
C 0.290723 0.870904 0.284645
C 3.005052 1.845501 0.014812
C 2.036494 -2.391499 -1.919266
C 0.619752 2.233528 0.331786
C 1.933031 2.720275 0.204403
C -1.140944 0.436072 0.299076
C 0.574306 4.519571 0.585644
C -2.001957 0.781144 1.357112
C -1.651828 -0.306852 -0.799922
C -3.005825 -0.692961 -0.822069
C -3.363181 0.380950 1.351507
C -3.887208 -0.361676 0.255677
C -2.755669 -1.635525 -3.072685
C -5.319741 0.143372 2.893587
C -5.672411 -2.044567 0.083921
H 4.389929 -2.587752 -0.509360
H 2.072147 -3.460976 -0.106320
H 4.222799 -0.394245 -1.325977
H 4.799218 -0.206144 0.350648
H 1.107184 -1.805910 1.353404
H 0.158615 -1.798636 -0.130395
H 3.513498 -3.300135 1.800631
H 3.283142 -1.556086 2.180015
H 5.816755 -2.732972 1.510097
H 0.219939 5.327590 -0.070813
H 0.575874 4.797669 1.658039
H -1.645862 1.359895 2.213361
H -0.989435 -0.543987 -1.636856
H 4.968529 1.683208 -0.180864
H 2.999025 -2.811738 -3.583541
H -1.867293 -2.247727 -2.827530
H -2.427030 -0.679551 -3.522524
H -3.406430 -2.176164 -3.775985
H -6.147710 0.331441 2.193079
H -5.537104 0.572187 3.884926
H -5.157665 -0.948239 2.987405
H -5.313674 -2.616477 0.963628
H -5.278361 -2.490196 -0.843926
H -6.773390 -2.032517 0.067792


