%chk=000044316.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044316

0 1
 O    3.165400      -2.199200     -0.4312000    
 C  -0.1395000     -0.6666000     -0.2047000    
 C   -1.478300      -1.094000     -0.2436000    
 C   0.1765000      0.7039000     -3.7099998E-02
 C   -2.543300     -0.1918000     -0.1193000    
 C    1.559600       1.106800     -1.7000000E-03
 C   -2.259900       1.175600      4.8300002E-02
 C  -0.9174000       1.598400      8.6400002E-02
 C   -1.788700      -2.557400     -0.4231000    
 C    2.572000      0.1211000     -0.1355000    
 C   0.8852000      -1.608100     -0.3331000    
 C    2.220500      -1.220500     -0.2991000    
 C   -3.881200     -0.6206000     -0.1583000    
 C    1.995600       2.446000      0.1607000    
 C   -3.324000       2.085600      0.1735000    
 C    3.930300      0.4806000     -0.1053000    
 C   -1.890200      -3.281600      0.9103000    
 C   -4.926200      0.2945000     -3.2600001E-02
 C   -4.647700       1.647100      0.1332000    
 C    3.349900       2.790400      0.1891000    
 C    4.317600       1.807000      5.6000002E-02
 C    3.623800      -2.817200      0.7672000    
 H  -0.7340000       2.663500      0.2173000    
 H   -2.704900      -2.714900      -1.001200    
 H   -1.068300      -3.061400      -1.074800    
 H   0.7132000      -2.674000     -0.4362000    
 H   -4.179500      -1.658400     -0.2575000    
 H    1.283500       3.259900      0.2698000    
 H   -3.129000       3.148100      0.3045000    
 H    4.718300     -0.2615000     -0.2146000    
 H  -0.9524000      -3.226200       1.472800    
 H   -2.119800      -4.339500      0.7464000    
 H   -2.681600      -2.861300       1.539500    
 H   -5.956300     -4.8900001E-02 -5.7999998E-02
 H   -5.459500       2.361600      0.2327000    
 H    3.642200       3.828800      0.3150000    
 H    5.370900       2.069800      7.5599998E-02
 H    4.438100      -3.500400      0.5105000    
 H    2.816700      -3.395500       1.228100    
 H    4.002200      -2.075500       1.477700    


%chk=000044316-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044316

0 1
O 3.278713 -2.252685 -0.379990
C -0.164613 -0.735366 -0.233186
C -1.523982 -1.167519 -0.301463
C 0.161872 0.675349 -0.042936
C -2.583248 -0.211825 -0.137625
C 1.574120 1.098126 -0.008417
C -2.252832 1.191193 0.062107
C -0.893019 1.595172 0.095113
C -1.856706 -2.640722 -0.511872
C 2.619148 0.116290 -0.127495
C 0.930175 -1.683056 -0.325644
C 2.246403 -1.283380 -0.259830
C -3.979650 -0.572733 -0.146020
C 1.965640 2.463940 0.128333
C -3.308698 2.154722 0.222497
C 3.988050 0.514607 -0.130761
C -1.961902 -3.429600 0.822603
C -4.980100 0.384121 0.018248
C -4.645218 1.766612 0.201329
C 3.316985 2.843743 0.141322
C 4.338894 1.864495 0.005636
C 3.755680 -2.787545 0.910897
H -0.686495 2.660012 0.242074
H -2.807813 -2.739204 -1.064044
H -1.097751 -3.117530 -1.156636
H 0.729858 -2.750608 -0.445540
H -4.268571 -1.619673 -0.278000
H 1.204896 3.244833 0.218392
H -3.038698 3.207978 0.365473
H 4.753355 -0.255322 -0.267864
H -1.009636 -3.388648 1.381537
H -2.206840 -4.491377 0.635203
H -2.747354 -3.003531 1.472370
H -6.033043 0.080880 0.008384
H -5.442177 2.507731 0.325638
H 3.583466 3.901159 0.246843
H 5.391853 2.166159 -0.001524
H 4.553789 -3.503547 0.661406
H 2.936832 -3.307345 1.445496
H 4.158416 -1.981707 1.555642


