%chk=000104066.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104066

0 1
 O    1.102200     -0.8207000      6.8899997E-02
 O    1.971200      0.2685000      0.4956000    
 C   -2.982100      0.2295000     -0.3880000    
 C   -1.977200       1.330700     -2.1700000E-02
 C   -2.647000      -1.081700      0.3361000    
 C  -0.2121000     -0.4167000      0.4371000    
 C  -0.5401000      0.8891000     -0.2822000    
 C   -1.208000      -1.516500      7.5000003E-02
 C   -4.408400      0.6730000     -6.7800000E-02
 C    3.282900     -0.1335000      0.1288000    
 C    3.340600     -0.3400000      -1.377100    
 C    4.278000      0.9182000      0.5952000    
 H   -2.919300      5.1600002E-02  -1.470000    
 H   -2.086100       1.599100       1.037000    
 H   -2.188400       2.236700     -0.6022000    
 H   -3.329500      -1.874900      8.2999999E-03
 H   -2.796600     -0.9606000       1.416700    
 H  -0.2345000     -0.2606000       1.523600    
 H  -0.3762000      0.7693000      -1.361200    
 H   0.1315000       1.696600      3.1500001E-02
 H  -0.9792000      -2.424400      0.6459000    
 H   -1.086600      -1.792400     -0.9806000    
 H   -5.129300     -9.7999997E-02 -0.3599000    
 H   -4.534800      0.8669000       1.002700    
 H   -4.660600       1.590200     -0.6103000    
 H    3.514000      -1.077300      0.6377000    
 H    4.364300     -0.5465000      -1.706000    
 H    2.717200      -1.180700      -1.698500    
 H    2.976100      0.5468000      -1.907800    
 H    5.305300      0.6335000      0.3487000    
 H    4.204200       1.058500       1.679000    
 H    4.062500       1.890000      0.1374000    


%chk=000104066-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104066

0 1
O 1.062548 -0.618882 -0.396844
O 2.060806 0.485617 0.047850
C -3.170079 0.229032 -0.283910
C -2.197162 1.406153 -0.015491
C -2.613698 -1.073302 0.347752
C -0.241618 -0.200149 0.147922
C -0.762282 1.093973 -0.505000
C -1.176055 -1.395370 -0.132907
C -4.592606 0.538514 0.229434
C 3.383049 -0.180970 0.087064
C 3.846479 -0.588281 -1.320660
C 4.290084 0.869537 0.751353
H -3.218224 0.076523 -1.384597
H -2.181685 1.615177 1.075838
H -2.570488 2.325332 -0.507619
H -3.280326 -1.924759 0.107932
H -2.619712 -0.965842 1.453148
H -0.133071 -0.055292 1.244446
H -0.756569 0.955999 -1.604706
H -0.074675 1.926750 -0.273944
H -0.788353 -2.300326 0.370365
H -1.179707 -1.595897 -1.222573
H -5.290372 -0.291811 0.010985
H -4.587698 0.695033 1.325812
H -4.998851 1.454708 -0.238842
H 3.290915 -1.075758 0.736307
H 4.820117 -1.110673 -1.270937
H 3.108376 -1.263240 -1.784788
H 3.957303 0.304347 -1.962449
H 5.317815 0.471984 0.831236
H 3.929162 1.122168 1.763028
H 4.320578 1.793402 0.146697


