%chk=000042951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042951

0 1
 O   -1.555600     -1.6899999E-02 -9.7800002E-02
 O   -1.035000       2.163100     -0.6776000    
 N    2.494500      -1.012600     -0.4064000    
 C    3.178500     -0.3553000      0.7150000    
 C    1.034900     -0.8157000     -0.3162000    
 C    2.946700       1.163000      0.6724000    
 C   0.6496000      0.6137000     -6.1999999E-02
 C    1.522000       1.531800      0.3756000    
 C    2.819900      -2.436700     -0.4576000    
 C  -0.7278000       1.035800     -0.3205000    
 C   -2.947400      0.2403000     -0.3106000    
 C   -3.715000      -1.007700     -2.5400000E-02
 C   -4.665300      -1.102800      0.9111000    
 H    4.259100     -0.5373000      0.6645000    
 H    2.827200     -0.7595000       1.674300    
 H   0.6145000      -1.438300      0.4852000    
 H   0.5899000      -1.144300      -1.263700    
 H    3.586300       1.615900     -9.4899997E-02
 H    3.239500       1.594700       1.636200    
 H    1.232500       2.566200      0.5352000    
 H    2.512000      -2.965400      0.4516000    
 H    3.898000      -2.579400     -0.5903000    
 H    2.332100      -2.912100      -1.315700    
 H   -3.267900       1.063900      0.3384000    
 H   -3.107200      0.5276000      -1.356300    
 H   -3.482500      -1.885100     -0.6232000    
 H   -5.189000      -2.039300       1.068800    
 H   -4.936200     -0.2568000       1.533000    


%chk=000042951-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042951

0 1
O -1.599869 -0.000877 0.282132
O -1.124398 2.280349 0.043982
N 2.402780 -1.146118 -0.199488
C 3.358350 -0.238913 0.473481
C 0.994875 -0.855142 0.151483
C 3.140586 1.207687 -0.016248
C 0.691113 0.630264 0.081881
C 1.677243 1.569360 -0.014874
C 2.725983 -2.572915 -0.021923
C -0.721614 1.091277 0.126192
C -3.060762 0.316183 0.343934
C -3.800401 -0.718467 -0.458062
C -4.813422 -1.473083 0.034736
H 4.384409 -0.571445 0.232213
H 3.251582 -0.272060 1.589375
H 0.729854 -1.229450 1.175602
H 0.334581 -1.399980 -0.548016
H 3.540306 1.316531 -1.045169
H 3.707426 1.918790 0.617637
H 1.386576 2.626167 -0.082516
H 2.662664 -2.914639 1.042835
H 3.749564 -2.771216 -0.386564
H 2.026209 -3.188041 -0.616104
H -3.358423 0.300787 1.407756
H -3.198350 1.340585 -0.052391
H -3.490634 -0.816171 -1.507505
H -5.358075 -2.185626 -0.593638
H -5.129856 -1.393034 1.082358


