%chk=000100005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100005

0 1
 O   0.2562000      -3.814300     -0.6347000    
 O   0.5449000     -0.2812000      -1.826700    
 N   0.3000000      -1.147900      0.3097000    
 C  -0.9457000      -1.844700      6.4499997E-02
 C   -2.053400      -1.320400      0.9919000    
 C  -0.7499000      -3.349400      0.2581000    
 C   -2.612900      1.1800000E-02  0.5520000    
 C   0.9445000     -0.4168000     -0.6732000    
 C   -2.034400       1.179500       1.023100    
 C   -3.693600      4.1499998E-02 -0.3145000    
 C    2.226400      0.2167000     -0.2701000    
 C   -2.550700       2.409900      0.6169000    
 C   -4.209800       1.272000     -0.7208000    
 C   -3.638300       2.456100     -0.2551000    
 C    2.637700       1.360800     -0.9217000    
 C    2.964200     -0.3591000      0.7434000    
 C    3.841100       1.955800     -0.5431000    
 C    4.167600      0.2360000       1.121900    
 C    4.606000       1.393600      0.4787000    
 H   -1.233800      -1.683400     -0.9820000    
 H   -1.691300      -1.245800       2.026200    
 H   -2.882500      -2.040300       1.025900    
 H   -1.675600      -3.894400      4.6300001E-02
 H  -0.4302000      -3.577300       1.280900    
 H   0.6579000      -1.176200       1.258300    
 H   -1.187600       1.154600       1.702900    
 H   -4.143700     -0.8751000     -0.6849000    
 H   -2.105600       3.331900      0.9793000    
 H   -5.056200       1.308200      -1.400500    
 H   0.3521000      -4.769900     -0.4830000    
 H   -4.040100       3.414100     -0.5718000    
 H    2.050800       1.813700      -1.715200    
 H    2.677500      -1.277800       1.244200    
 H    4.182200       2.857700      -1.043200    
 H    4.767800     -0.2059000       1.911900    
 H    5.543800       1.855900      0.7723000    


%chk=000100005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100005

0 1
O 0.483788 -3.856314 -0.116726
O 0.352668 -0.506659 -1.930832
N 0.244342 -1.096100 0.322466
C -0.960171 -1.926733 0.197369
C -2.160689 -1.372728 1.007803
C -0.672157 -3.375731 0.644441
C -2.644683 0.032121 0.653992
C 0.875229 -0.520314 -0.769611
C -3.358642 0.772173 1.632806
C -2.462869 0.607433 -0.629551
C 2.208014 0.127282 -0.492289
C -3.890408 2.047187 1.340715
C -2.993756 1.884832 -0.923283
C -3.711680 2.609081 0.055104
C 2.608489 1.203192 -1.324082
C 3.081860 -0.322529 0.531670
C 3.848249 1.842162 -1.115734
C 4.326751 0.313330 0.735232
C 4.709074 1.402479 -0.081584
H -1.193190 -1.942401 -0.882183
H -1.913892 -1.406360 2.089731
H -3.004675 -2.082561 0.870636
H -1.575569 -3.991812 0.446826
H -0.464428 -3.402365 1.739258
H 0.670759 -0.999445 1.245492
H -3.501128 0.343864 2.633943
H -1.888002 0.079728 -1.398970
H -4.438828 2.600461 2.111894
H -2.838290 2.314778 -1.919377
H 0.592060 -4.830252 0.020782
H -4.120668 3.598831 -0.177557
H 1.934795 1.513612 -2.129313
H 2.820666 -1.197622 1.139239
H 4.146219 2.678439 -1.757729
H 5.001943 -0.047372 1.519204
H 5.674219 1.896215 0.078119


