%chk=000000988.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000988

0 1
 O    2.507000      -1.852700      0.3119000    
 O    2.736400       2.074500      -1.299600    
 O   0.3441000      -1.825600      -1.309900    
 O   -2.969400       1.959300     -0.6349000    
 O   -3.352300      0.7884000       1.272300    
 N  -0.9525000      -1.214700      0.5147000    
 C    1.917600      0.5147000      0.4051000    
 C    1.456200     -0.9522000      0.6527000    
 C    2.314900      0.7334000      -1.075300    
 C    3.147900      0.8016000       1.299000    
 C   0.8142000       1.515800      0.8015000    
 C   0.2411000      -1.374100     -0.1707000    
 C   -2.235700      -1.569400     -4.6599999E-02
 C   -2.873100     -0.4072000     -0.7969000    
 C   -3.096200      0.8083000      7.6600000E-02
 H    1.242700      -1.106100       1.717000    
 H    1.483500      0.5294000      -1.757400    
 H    3.151000      8.9599997E-02  -1.364600    
 H    2.917000      0.6163000       2.354200    
 H    3.475000       1.843900       1.213800    
 H    3.999100      0.1680000       1.026500    
 H    1.180700       2.548400      0.8046000    
 H   0.4378000       1.305400       1.809100    
 H  -3.2299999E-02   1.471500      0.1088000    
 H  -0.9405000     -0.8265000       1.453200    
 H    2.639700      -1.827300     -0.6501000    
 H   -2.110000      -2.423100     -0.7210000    
 H   -2.871900      -1.885300      0.7870000    
 H    1.944600       2.638100      -1.298100    
 H   -3.841700     -0.7068000      -1.210000    
 H   -2.220700     -0.1198000      -1.630400    
 H   -3.107200       2.752300     -7.4199997E-02


%chk=000000988-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000988

0 1
O 2.593080 -1.910033 0.495660
O 3.033681 1.931988 -1.434842
O 0.500424 -2.059367 -1.177061
O -4.321542 1.682938 -0.136199
O -2.897510 0.758942 1.441974
N -0.929451 -1.022037 0.342798
C 2.059869 0.528464 0.419694
C 1.536153 -0.926302 0.725276
C 2.578089 0.585548 -1.047897
C 3.232661 0.815432 1.391334
C 0.940443 1.579054 0.635210
C 0.315431 -1.367272 -0.118362
C -2.170704 -1.401038 -0.348857
C -2.968755 -0.178461 -0.850285
C -3.360251 0.761407 0.274762
H 1.278161 -0.970888 1.802431
H 1.802363 0.218238 -1.751757
H 3.472911 -0.048341 -1.147337
H 2.868795 0.953664 2.427464
H 3.759187 1.734390 1.078177
H 3.948151 -0.024406 1.382683
H 1.372842 2.596069 0.620306
H 0.456161 1.456761 1.622949
H 0.151656 1.522526 -0.139387
H -1.036798 -0.470823 1.199345
H 2.368350 -2.353953 -0.372756
H -1.883123 -2.036405 -1.202928
H -2.799339 -2.002125 0.334661
H 2.243679 2.517108 -1.550340
H -3.884812 -0.500889 -1.377534
H -2.372611 0.396806 -1.584817
H -4.540194 2.301103 0.613937


