%chk=000097509.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097509

0 1
 O    1.597600       2.817400      -1.541800    
 O   -1.601400      -1.981300      -2.367900    
 O  -0.2788000       1.564100      -1.816500    
 O   0.2357000      -2.314000      -1.071400    
 O    5.498500      -1.008200       1.305500    
 O   -5.479000       1.017500       1.368600    
 O    5.583200      0.5251000     -0.2632000    
 O   -5.586700     -0.5437000     -0.1709000    
 N    4.933300     -0.2149000      0.5145000    
 N   -4.925500      0.2100000      0.5837000    
 C   0.7280000     -2.5699999E-02  0.4745000    
 C  -0.7213000      1.9600000E-02  0.4848000    
 C    1.470800      0.7879000     -0.3811000    
 C   -1.476500     -0.8092000     -0.3449000    
 C    1.378800     -0.9029000       1.342100    
 C   -1.359200      0.9123000       1.346100    
 C    2.864200      0.7243000     -0.3691000    
 C   -2.869600     -0.7452000     -0.3134000    
 C    3.514800     -0.1528000      0.4986000    
 C   -3.507400      0.1474000      0.5479000    
 C    2.772200     -0.9665000       1.354100    
 C   -2.752300      0.9763000       1.377600    
 C   0.8302000       1.721100      -1.300800    
 C  -0.8495000      -1.758700      -1.257100    
 H   0.8162000      -1.544600       2.016400    
 H  -0.7866000       1.566200       1.999900    
 H    3.440700       1.348100      -1.048100    
 H   -3.456700      -1.404500     -0.9482000    
 H    3.244800      -1.661300       2.043500    
 H   -3.214800       1.683400       2.061400    
 H    1.160300       3.440500      -2.160500    
 H   -1.173600      -2.621000      -2.976200    


%chk=000097509-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097509

0 1
O 1.888849 2.499052 -2.099307
O -1.887642 -2.261725 -2.301065
O -0.290137 1.864934 -1.623864
O 0.291683 -1.674196 -1.770309
O 5.554381 -0.963968 1.595803
O -5.551601 0.888730 1.666788
O 5.732004 0.624156 -0.033397
O -5.730961 -0.562081 -0.085619
N 5.043012 -0.148975 0.735126
N -5.041102 0.144878 0.743423
C 0.752947 -0.011996 0.411417
C -0.750926 0.027313 0.412874
C 1.567188 0.827135 -0.410077
C -1.565722 -0.738154 -0.476910
C 1.384424 -0.871951 1.346030
C -1.381885 0.805846 1.416711
C 2.975385 0.778823 -0.300143
C -2.973991 -0.696815 -0.364588
C 3.561679 -0.099789 0.626396
C -3.559769 0.101515 0.632322
C 2.785218 -0.931983 1.458866
C -2.782628 0.858743 1.532964
C 0.938610 1.745407 -1.403233
C -0.937303 -1.570828 -1.542788
H 0.763610 -1.510350 1.982126
H -0.760498 1.386702 2.105215
H 3.602193 1.413857 -0.929421
H -3.600903 -1.275365 -1.046123
H 3.279265 -1.600008 2.169204
H -3.276437 1.465494 2.296429
H 1.426074 3.086671 -2.754875
H -1.424616 -2.794370 -3.001874


