%chk=000114506.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114506

0 1
 O   -3.902300       1.296900       1.695500    
 C  -0.7614000     -0.7536000     -0.2167000    
 C   -1.740100      0.4610000      1.3300000E-02
 C   0.5930000     -0.3982000      0.5246000    
 C    1.205400      0.9313000      1.2300000E-02
 C   -3.253800      0.2325000     -0.3426000    
 C   -1.143200       1.764000     -0.5545000    
 C   -1.388200      -2.022800      0.4184000    
 C   0.1998000       2.086500      9.7499996E-02
 C    1.655300      -1.518300      0.5016000    
 C    2.478200       1.300700      0.7966000    
 C   -3.733200      -1.105500      0.2720000    
 C   -2.823500      -2.288600     -2.7799999E-02
 C    3.531600      0.1864000      0.8100000    
 C  -0.4762000      -1.047900      -1.710200    
 C    2.911600      -1.131700       1.283600    
 C   -4.115500       1.350400      0.3053000    
 C   -3.571100      0.2690000      -1.849400    
 C    4.221800      3.7200000E-02 -0.5484000    
 C    4.796300       1.374900      -1.004300    
 C    5.315500      -1.024200     -0.4768000    
 H   -1.730100      0.5982000       1.106100    
 H   0.3403000     -0.2455000       1.585700    
 H    1.486700      0.8150000      -1.041000    
 H   -1.804200       2.615600     -0.3709000    
 H   -1.019600       1.701300      -1.640300    
 H   -1.377900      -1.927900       1.512400    
 H  -0.7891000      -2.909400      0.1791000    
 H   0.6224000       2.980800     -0.3769000    
 H   2.5500000E-02   2.347000       1.149800    
 H    1.940200      -1.769700     -0.5242000    
 H    1.251100      -2.431700      0.9506000    
 H    2.883400       2.255700      0.4493000    
 H    2.189800       1.489000       1.841400    
 H   -4.747700      -1.338200     -7.6899998E-02
 H   -3.803400      -1.031800       1.364500    
 H    4.294900      0.4717000       1.547900    
 H   -2.859400      -2.538100      -1.093000    
 H   -3.201700      -3.171800      0.5013000    
 H  -6.7500003E-02 -0.1874000      -2.244700    
 H   0.2406000      -1.867300      -1.824000    
 H   -1.359900      -1.372700      -2.255800    
 H    2.626100      -1.011500       2.338100    
 H    3.626000      -1.959500       1.279900    
 H   -5.182100       1.179600      0.1173000    
 H   -3.869200       2.348300     -6.6900000E-02
 H   -3.186400       1.177400      -2.323200    
 H   -3.182300     -0.5902000      -2.393400    
 H   -4.655500      0.2595000      -2.016400    
 H    3.508300     -0.2848000      -1.315900    
 H    5.392200       1.849900     -0.2175000    
 H    5.449700       1.238100      -1.873700    
 H    4.014000       2.070400      -1.322900    
 H    5.991000     -0.8526000      0.3680000    
 H    5.921700      -1.016000      -1.390000    
 H    4.903600      -2.034200     -0.3960000    
 H   -4.450800       1.990600       2.099400    


%chk=000114506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114506

0 1
O -3.810628 1.457232 1.732693
C -0.772104 -0.761680 -0.248779
C -1.759627 0.446385 0.009767
C 0.569075 -0.397709 0.510808
C 1.194178 0.945710 0.027927
C -3.278939 0.211634 -0.338949
C -1.180586 1.766117 -0.556359
C -1.380579 -2.046246 0.393482
C 0.169676 2.102231 0.114002
C 1.644105 -1.518980 0.511563
C 2.458092 1.293861 0.855646
C -3.752999 -1.135118 0.287380
C -2.833567 -2.325892 -0.047491
C 3.551518 0.190253 0.830875
C -0.484194 -1.033493 -1.752345
C 2.891008 -1.122487 1.339096
C -4.134752 1.342487 0.299255
C -3.616245 0.255361 -1.855755
C 4.268864 0.037611 -0.552505
C 4.882159 1.377456 -1.031735
C 5.378133 -1.043900 -0.502765
H -1.763687 0.567847 1.115200
H 0.277712 -0.240348 1.577117
H 1.494196 0.826397 -1.035529
H -1.883804 2.600541 -0.372397
H -1.048438 1.704475 -1.654811
H -1.361674 -1.932413 1.498607
H -0.748061 -2.921981 0.150283
H 0.605875 3.018463 -0.333931
H -0.014796 2.328791 1.185932
H 1.954535 -1.751913 -0.526163
H 1.220675 -2.451614 0.929854
H 2.865964 2.265721 0.516684
H 2.144416 1.443606 1.911368
H -4.789565 -1.344410 -0.049831
H -3.789897 -1.006745 1.387381
H 4.344254 0.480634 1.556661
H -2.868125 -2.549850 -1.132212
H -3.206439 -3.235253 0.463969
H -0.124454 -0.136293 -2.285393
H 0.289176 -1.815973 -1.860005
H -1.379617 -1.393454 -2.284477
H 2.581211 -0.967200 2.393861
H 3.618024 -1.955842 1.348626
H -5.208042 1.079383 0.168956
H -3.947858 2.308084 -0.216814
H -3.174063 1.139083 -2.350549
H -3.259953 -0.640890 -2.388279
H -4.713925 0.304108 -2.000592
H 3.522726 -0.280830 -1.309446
H 5.573964 1.785810 -0.268798
H 5.458864 1.230537 -1.964148
H 4.112848 2.143040 -1.234722
H 6.120141 -0.806089 0.284819
H 5.917040 -1.095817 -1.467436
H 4.974785 -2.050525 -0.294233
H -4.375896 2.157886 2.141836


