%chk=000031404.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031404

0 1
 O   7.8999996E-03  -1.952800     -5.0000002E-04
 C   -2.515700     -0.6433000      1.1000000E-03
 C    2.506800     -0.5969000     -2.4999999E-03
 C   -1.180500      0.1195000      1.9999999E-04
 C    1.196800      0.1198000     -1.8000000E-03
 C  -4.6999999E-03 -0.5887000     -3.9999999E-04
 C   -1.231900       1.492300     -6.0000003E-04
 C    1.183800       1.514600     -2.6000000E-03
 C   -3.687900      0.3616000      1.1000000E-03
 C   -2.606800      -1.529700       1.262100    
 C   -2.707900      -1.568700      -1.221700    
 C    2.507000      -1.992300      0.7039000    
 C    3.001700     -0.8662000      -1.456700    
 C    3.606300      0.2376000      0.7231000    
 C  -3.0500000E-02   2.200900     -2.0000001E-03
 C  -4.4300001E-02   3.692200     -2.7000001E-03
 H   -2.132900       2.090400     -4.3000001E-03
 H    2.093000       2.104600     -3.3399999E-02
 H   -3.714500      0.9835000     -0.9019000    
 H   -3.703700      0.9949000      0.8966000    
 H   -4.643700     -0.1797000      1.4100000E-02
 H   -1.922900      -2.382400       1.256400    
 H   -3.615700      -1.947600       1.366800    
 H   -2.402700     -0.9472000       2.168700    
 H   -2.001100      -2.402400      -1.248400    
 H   -2.583700      -1.007200      -2.155200    
 H   -3.712400      -2.008400      -1.229900    
 H    3.533400      -2.309900      0.9302000    
 H    1.973200      -1.961100       1.660700    
 H    2.109800      -2.800800      8.3300002E-02
 H    3.116300      7.2400004E-02  -2.011700    
 H    3.971400      -1.376800      -1.459200    
 H    2.290000      -1.487900      -2.011600    
 H    4.529900     -0.3429000      0.8400000    
 H    3.898400       1.131700      0.1617000    
 H    3.283700      0.5402000       1.726300    
 H  -0.8758000       4.077700      0.5971000    
 H  -0.1445000       4.066200      -1.026500    
 H   0.8759000       4.100900      0.4287000    
 H   0.3642000      -2.224100     -0.8650000    


%chk=000031404-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031404

0 1
O -0.072814 -1.977673 -0.251760
C -2.619535 -0.649802 -0.146397
C 2.602910 -0.637684 -0.010165
C -1.269806 0.108999 -0.041293
C 1.239763 0.113882 0.022684
C -0.011442 -0.568877 -0.089534
C -1.230974 1.513942 0.112982
C 1.192226 1.523552 0.174190
C -3.835519 0.312765 -0.059466
C -2.750053 -1.671871 1.024966
C -2.712420 -1.393468 -1.514405
C 2.705612 -1.650695 1.178742
C 2.809007 -1.358386 -1.383916
C 3.805577 0.333236 0.148260
C -0.021456 2.240661 0.217935
C -0.036676 3.753162 0.371461
H -2.172518 2.069557 0.153668
H 2.126761 2.084449 0.262134
H -3.842017 1.048403 -0.885241
H -3.864191 0.860198 0.901128
H -4.765809 -0.279874 -0.133859
H -1.936041 -2.412334 0.998813
H -3.716109 -2.206832 0.948473
H -2.722315 -1.150814 2.000349
H -1.897860 -2.125365 -1.625477
H -2.657016 -0.673908 -2.352714
H -3.679137 -1.928145 -1.584201
H 3.673894 -2.183922 1.138979
H 2.648028 -1.108281 2.139546
H 1.906042 -2.414136 1.200622
H 2.807481 -0.615440 -2.201598
H 3.782322 -1.883632 -1.393109
H 2.030686 -2.102992 -1.636811
H 4.746420 -0.247058 0.127872
H 3.849244 1.071077 -0.672996
H 3.768451 0.878487 1.108514
H -0.644638 4.066830 1.241081
H -0.468927 4.247297 -0.520021
H 0.981927 4.154921 0.512667
H 0.836623 -2.356230 -0.298605


