%chk=000044847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044847

0 1
 O   -1.403400     -0.2335000      0.8992000    
 O   -1.882600     -0.4869000      -1.376100    
 O   0.5374000       3.232500      3.3300001E-02
 O   -1.314300       2.201000      0.6045000    
 O    4.611600      -1.421900     -0.4497000    
 O    4.591500      0.7600000     -0.6894000    
 N  -9.6600004E-02   2.186000      0.3065000    
 N    4.011200     -0.3205000     -0.4251000    
 C  -4.6799999E-02 -0.2492000      0.5665000    
 C   0.6109000      -1.461400      0.5402000    
 C   -3.668700     -0.3353000      0.2722000    
 C   -4.661700     -0.4501000     -0.8814000    
 C   0.5885000      0.9399000      0.2770000    
 C    1.965800      -1.485200      0.2091000    
 C    2.631900     -0.2963000     -8.8000000E-02
 C    1.943200      0.9164000     -5.4099999E-02
 C   -2.235400     -0.3662000     -0.2108000    
 C  -8.4399998E-02  -2.745000      0.8552000    
 C   -6.098200     -0.3844000     -0.3890000    
 H   -3.812400      -1.168700      0.9689000    
 H   -3.830200      0.6081000      0.8054000    
 H   -4.504200      -1.393600      -1.417500    
 H   -4.490700      0.3567000      -1.604200    
 H    2.484300      -2.441000      0.1863000    
 H    2.465500       1.841600     -0.2865000    
 H  -0.7405000      -3.033600      2.7899999E-02
 H   0.6265000      -3.561400       1.022100    
 H  -0.6796000      -2.650500       1.769600    
 H   -6.310600      -1.199300      0.3104000    
 H   -6.295900      0.5651000      0.1189000    
 H   -6.791900     -0.4699000      -1.231200    


%chk=000044847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044847

0 1
O -1.411329 -0.747674 0.556189
O -2.011336 -0.013342 -1.596616
O 0.318561 3.065202 -0.403768
O -1.474305 1.999820 0.501482
O 4.919379 -1.162928 0.089813
O 4.675800 1.073849 -0.295440
N -0.261406 2.012608 0.057596
N 4.201762 -0.098038 -0.043317
C -0.043754 -0.521498 0.374799
C 0.794446 -1.667602 0.514364
C -3.756629 -0.346499 0.141224
C -4.877790 -0.236730 -0.912714
C 0.534128 0.757912 0.119013
C 2.186808 -1.510050 0.384427
C 2.730959 -0.237137 0.105413
C 1.927464 0.902632 -0.031309
C -2.374348 -0.309331 -0.453109
C 0.173605 -3.020676 0.784469
C -6.271243 -0.186221 -0.252967
H -3.858556 -1.262250 0.753627
H -3.807070 0.501290 0.854820
H -4.818358 -1.096745 -1.606599
H -4.712566 0.668660 -1.524741
H 2.860743 -2.365289 0.482971
H 2.363147 1.882929 -0.238623
H -0.523929 -3.304744 -0.024057
H 0.948402 -3.799751 0.865742
H -0.414608 -3.008638 1.719121
H -6.466137 -1.093121 0.350008
H -6.365805 0.690272 0.414982
H -7.065832 -0.113510 -1.016599


