%chk=000039514.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039514

0 1
 O   -3.416400      -1.279400      0.1705000    
 O  -0.9084000      -2.715600     -0.1341000    
 O   -1.208600       2.850000      7.7399999E-02
 O    1.585500      -2.397500     -0.3831000    
 O    3.000600     -0.4144000       1.948900    
 C   -2.321800      0.6964000      0.1232000    
 C   -2.193400     -0.6876000      6.4000003E-02
 C   -3.710800      0.9489000      0.2750000    
 C  -0.9784000      -1.354200     -8.3400004E-02
 C   -1.160500       1.483100      2.9500000E-02
 C   -4.328200     -0.2801000      0.2977000    
 C   0.1632000     -0.5524000     -0.1747000    
 C   7.6499999E-02  0.8410000     -0.1195000    
 C   -4.370800       2.263800      0.3888000    
 C    1.476100      -1.164800     -0.3306000    
 C   -5.731100     -0.7005000      0.4299000    
 C    2.726800     -0.3565000     -0.4328000    
 C    3.418500     -2.6799999E-02  0.7109000    
 C    3.140100      3.1599998E-02  -1.688400    
 C   -1.618200      -3.360500      -1.188600    
 C   -1.360100       3.530800      -1.163500    
 C    4.584300      0.7301000      0.5939000    
 C    4.305800      0.7886000      -1.805100    
 C    5.027900       1.137900     -0.6641000    
 C    3.801400     -1.1800000E-02   3.058100    
 H   0.9566000       1.475200     -0.1880000    
 H   -5.386000       2.172700      0.7886000    
 H   -3.815900       2.926000       1.061000    
 H   -4.439100       2.744200     -0.5922000    
 H   -5.849500      -1.770700      0.2329000    
 H   -6.096000     -0.5002000       1.442000    
 H   -6.365400     -0.1579000     -0.2779000    
 H    2.581900     -0.2374000      -2.580100    
 H   -1.563700      -2.786400      -2.119800    
 H   -2.661100      -3.520700     -0.9010000    
 H   -1.157000      -4.337500      -1.359400    
 H   -1.525800       4.591400     -0.9557000    
 H   -2.217400       3.146200      -1.724600    
 H  -0.4490000       3.430000      -1.761700    
 H    5.196900       1.039500       1.433600    
 H    4.651200       1.106300      -2.784600    
 H    5.935400       1.727600     -0.7565000    
 H    3.826500       1.078100       3.163900    
 H    4.803800     -0.4513000       3.013900    
 H    3.322300     -0.4063000       3.960400    


%chk=000039514-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039514

0 1
O -3.316608 -1.435548 0.511406
O -0.737589 -2.752624 -0.087799
O -1.603481 2.870847 -0.336341
O 1.418523 -2.076876 -1.942655
O 2.091458 0.102251 1.373016
C -2.396943 0.635379 0.058678
C -2.158514 -0.763381 0.081101
C -3.773456 0.842394 0.494599
C -0.938882 -1.377935 -0.270634
C -1.328616 1.491078 -0.335105
C -4.291355 -0.418559 0.754849
C 0.105524 -0.503196 -0.675827
C -0.095306 0.913563 -0.687313
C -4.486552 2.162111 0.631826
C 1.399753 -1.051273 -1.190950
C -5.618366 -0.918043 1.220640
C 2.692589 -0.326331 -0.912956
C 3.032057 0.250956 0.350786
C 3.654521 -0.283974 -1.953521
C -1.271078 -3.623281 -1.159218
C -0.520207 3.763790 -0.752757
C 4.287646 0.886254 0.531624
C 4.901799 0.349916 -1.782705
C 5.210253 0.940037 -0.535868
C 2.420281 0.615223 2.705110
H 0.744728 1.542091 -0.996267
H -5.521398 2.027783 0.991547
H -3.956874 2.826845 1.337109
H -4.522638 2.695209 -0.334963
H -6.084127 -1.582902 0.469391
H -5.520475 -1.498116 2.156891
H -6.303057 -0.074473 1.405593
H 3.393699 -0.768960 -2.900183
H -0.714489 -3.432120 -2.093580
H -2.356379 -3.455888 -1.296811
H -1.091160 -4.651764 -0.811345
H -0.939049 4.778665 -0.684696
H -0.207620 3.556772 -1.794734
H 0.355938 3.673896 -0.081060
H 4.555977 1.324052 1.497538
H 5.623337 0.381661 -2.605080
H 6.176519 1.434692 -0.384674
H 2.569246 1.712607 2.692580
H 3.322471 0.120166 3.113296
H 1.546603 0.365907 3.324164


