%chk=000047420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047420

0 1
 O    4.063500     -0.8805000       1.070500    
 O    3.789500       1.229600      -1.908300    
 O    2.801400       1.732000       1.557000    
 C    4.280500     -0.3836000     -0.2525000    
 C    3.201200      -1.393400      3.3700000E-02
 C    3.902700       1.046000     -0.4961000    
 C    1.773700     -0.9183000      2.5100000E-02
 C    2.581000       1.477000      0.1704000    
 C    1.468600      0.4520000      6.7100003E-02
 C   0.7045000      -1.822300     -3.0500000E-02
 C   0.1278000      0.8786000      6.7699999E-02
 C  -0.9610000     -2.4300000E-02  9.2000002E-03
 C  -0.6377000      -1.401300     -4.0600002E-02
 C   -2.345200      0.3750000      3.9999999E-04
 C   -1.657600      -2.355000     -9.8300003E-02
 C   -3.352800     -0.6226000     -5.9000000E-02
 C   -2.994800      -1.971800     -0.1075000    
 C   -2.786200       1.721500      4.7100000E-02
 C   -4.712500     -0.2671000     -6.9399998E-02
 C   -4.141700       2.061700      3.6100000E-02
 C   -5.105100       1.066800     -2.2200000E-02
 H    5.178200     -0.6969000     -0.7674000    
 H    3.395900      -2.410500     -0.2925000    
 H    4.719000       1.688900     -0.1491000    
 H    2.249200       2.416600     -0.2877000    
 H   0.9317000      -2.888300     -6.6200003E-02
 H  -5.1399998E-02   1.950400      0.1182000    
 H    3.055000      0.6780000      -2.227500    
 H    3.099100      0.9065000       1.975900    
 H   -1.423200      -3.417200     -0.1368000    
 H   -3.756500      -2.748000     -0.1532000    
 H   -2.076900       2.544000      9.3199998E-02
 H   -5.484400      -1.033400     -0.1149000    
 H   -4.438400       3.105900      7.3200002E-02
 H   -6.159300       1.326000     -3.1099999E-02


%chk=000047420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047420

0 1
O 4.101689 -0.802391 1.178409
O 3.608930 1.186870 -2.031476
O 2.988980 1.706882 1.662172
C 4.278717 -0.356640 -0.262306
C 3.201345 -1.357848 0.050182
C 3.844751 1.074570 -0.579688
C 1.780884 -0.922520 0.055462
C 2.602993 1.493608 0.254304
C 1.470400 0.480177 0.118770
C 0.739502 -1.856663 -0.022120
C 0.132062 0.889204 0.088445
C -0.948836 -0.040951 0.013888
C -0.626667 -1.447588 -0.043403
C -2.354563 0.371377 -0.008113
C -1.686943 -2.426876 -0.123477
C -3.381231 -0.640174 -0.090635
C -3.011640 -2.037224 -0.146832
C -2.762700 1.739765 0.050497
C -4.756951 -0.253827 -0.114719
C -4.117626 2.097490 0.025779
C -5.126212 1.094950 -0.058283
H 5.212496 -0.696118 -0.725214
H 3.394556 -2.420625 -0.135077
H 4.659190 1.787519 -0.375586
H 2.271534 2.485874 -0.094013
H 0.969037 -2.928992 -0.068571
H -0.072451 1.963642 0.135998
H 2.812294 0.642340 -2.267437
H 3.364666 0.835396 1.980546
H -1.417019 -3.488493 -0.164465
H -3.810899 -2.785062 -0.207803
H -2.013153 2.533734 0.119711
H -5.523440 -1.035320 -0.177466
H -4.402876 3.153971 0.073200
H -6.183021 1.381943 -0.076678


