%chk=000001849.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001849

0 1
 O    1.062700     -0.1306000     -0.2231000    
 O   -2.898900      -2.738800     -0.4709000    
 O   -3.190900       1.735800       1.132900    
 O    1.768100       3.327200      0.8414000    
 O  -0.9758000       3.085800       1.227100    
 O    7.242000      0.8620000     -0.9091000    
 C  -0.9127000      -1.417200     -0.3414000    
 C  -0.2915000     -0.2090000     -2.4000000E-02
 C   -3.042400     -0.4935000      0.3346000    
 C   -1.045000      0.8532000      0.4707000    
 C   -2.288800      -1.558100     -0.1613000    
 C   -2.423500      0.7161000      0.6522000    
 C  -0.1106000      -2.562600     -0.8728000    
 C   -4.518000     -0.6526000      0.5248000    
 C  -0.3658000       2.116900      0.7951000    
 C    1.710200       1.053300      9.2799999E-02
 C    1.099100       2.153700      0.5682000    
 C   0.4175000      -3.461100      0.2165000    
 C   -5.309500     -0.2637000     -0.6976000    
 C    3.159600       1.003300     -0.1690000    
 C    1.701600      -3.731300      0.5196000    
 C   -6.229000      0.7135000     -0.8148000    
 C    4.037800      0.5976000      0.8363000    
 C    3.654400       1.361600      -1.423400    
 C    2.159500      -4.641000       1.624000    
 C    2.818800      -3.113500     -0.2787000    
 C   -6.984000       1.048600      -2.069600    
 C   -6.584300       1.570900      0.3709000    
 C    5.409600      0.5504000      0.5875000    
 C    5.026000       1.314300      -1.672300    
 C    5.903800      0.9086000     -0.6668000    
 H  -0.7375000      -3.183000      -1.527800    
 H   0.6541000      -2.193600      -1.560000    
 H   -4.770000      -1.690400      0.7787000    
 H   -4.822100     -0.1243000       1.431400    
 H  -0.3485000      -3.949000      0.8189000    
 H   -5.106400     -0.8597000      -1.586900    
 H   -3.822600      -2.589800     -0.7253000    
 H   -2.650700       2.519400       1.314100    
 H    3.667300      0.3137000       1.818300    
 H    2.982600       1.679100      -2.217200    
 H    1.312300      -5.076400       2.164100    
 H    2.756400      -5.464100       1.218100    
 H    2.768500      -4.088600       2.346600    
 H    2.529900      -2.336900     -0.9849000    
 H    3.542100      -2.650500      0.4024000    
 H    3.342800      -3.892800     -0.8428000    
 H    2.713300       3.220400      0.6486000    
 H   -6.702800      0.3887000      -2.897000    
 H   -8.061200      0.9411000      -1.907300    
 H   -6.776200       2.078200      -2.377700    
 H   -5.948400       1.464300       1.248000    
 H   -6.530000       2.628300      8.6300001E-02
 H   -7.613600       1.360900      0.6818000    
 H    6.082600      0.2320000       1.379100    
 H    5.404900       1.594300      -2.651500    
 H    7.697600      0.5602000     -0.1045000    


%chk=000001849-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001849

0 1
O 1.114872 0.019670 -0.199797
O -2.836525 -2.647047 -0.632729
O -3.122513 1.686644 1.562699
O 1.696114 3.439558 1.186121
O -0.995485 3.065025 1.738866
O 7.340439 1.026845 -1.069026
C -0.860008 -1.326748 -0.428407
C -0.267695 -0.134771 0.026312
C -3.042911 -0.470501 0.484526
C -0.986837 0.893447 0.698690
C -2.252527 -1.453873 -0.176209
C -2.395796 0.705415 0.919048
C -0.069996 -2.441278 -1.102745
C -4.542366 -0.647624 0.696373
C -0.336411 2.120478 1.135997
C 1.779350 1.180738 0.227847
C 1.094510 2.225921 0.836735
C 0.276527 -3.561107 -0.128570
C -5.356904 -0.383325 -0.567356
C 3.220120 1.156094 -0.085822
C 1.515372 -3.988034 0.249314
C -6.187220 0.674351 -0.798066
C 4.176704 1.691058 0.823041
C 3.687871 0.563050 -1.294016
C 1.667338 -5.139165 1.233101
C 2.827163 -3.401895 -0.242938
C -6.938123 0.791257 -2.115505
C -6.439730 1.804497 0.184991
C 5.553042 1.662634 0.521978
C 5.057251 0.529418 -1.600764
C 5.992779 1.088218 -0.695904
H -0.694400 -2.862490 -1.913474
H 0.838807 -2.022693 -1.563426
H -4.758310 -1.672835 1.073416
H -4.853521 0.036071 1.500691
H -0.600456 -4.065598 0.302415
H -5.243353 -1.118680 -1.380711
H -3.802911 -2.663404 -0.419699
H -2.451884 2.456130 1.786930
H 3.856234 2.070981 1.799568
H 2.962450 0.135349 -1.992716
H 0.688958 -5.541111 1.548658
H 2.252824 -5.968954 0.788502
H 2.216191 -4.815790 2.140471
H 2.693726 -2.500027 -0.860876
H 3.472623 -3.125594 0.614208
H 3.391728 -4.148654 -0.836940
H 2.579626 3.530205 0.740908
H -6.752818 -0.073248 -2.776762
H -8.030276 0.865929 -1.942739
H -6.640524 1.710764 -2.657639
H -5.708127 1.832599 1.007485
H -6.387602 2.779129 -0.337912
H -7.458563 1.730567 0.616024
H 6.276791 2.068701 1.240064
H 5.423421 0.081483 -2.528791
H 7.925361 1.433520 -0.382141


