%chk=000107769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107769

0 1
 O    2.003800     -0.1834000     -0.9778000    
 O    3.876100       2.005500      5.9200000E-02
 O    3.175500      -2.682700     -0.4937000    
 O   -1.298900       2.316600     -0.4423000    
 N  -0.1501000      0.2603000     -0.1784000    
 N   -2.477600      0.4250000     -6.8000004E-02
 N   -3.901800      -1.260300      0.2896000    
 C    1.170000      0.7953000     -0.3412000    
 C    3.286500      0.8810000      0.7082000    
 C    1.826200       1.158400      0.9809000    
 C    3.239800     -0.3030000     -0.2475000    
 C    3.230500      -1.645400      0.4722000    
 C   -1.269300       1.110100     -0.2499000    
 C  -0.2802000      -1.108900      4.9899999E-02
 C   -2.632600     -0.9316000      0.1605000    
 C   -1.460900      -1.713800      0.2171000    
 C   -3.742400      0.9656000     -8.0499999E-02
 C   -4.594500     -8.8799998E-02  0.1415000    
 H    1.135600       1.672700     -0.9983000    
 H    3.866800      0.6815000       1.613900    
 H    1.471800      0.5077000       1.789500    
 H    1.612000       2.193700       1.264300    
 H    4.050100     -0.2754000     -0.9845000    
 H    2.391800      -1.756800       1.162900    
 H    4.156200      -1.767400       1.044800    
 H   0.6079000      -1.717400      8.3499998E-02
 H    3.834000       2.753800      0.6788000    
 H   -1.528200      -2.781900      0.3886000    
 H    3.186600      -3.525800     -9.3000000E-03
 H   -3.921000       2.020000     -0.2405000    
 H   -5.672600     -6.1900001E-02  0.2016000    


%chk=000107769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107769

0 1
O 2.179507 -0.130349 -1.095877
O 4.164616 1.889606 -0.036142
O 2.817261 -2.714125 -0.103582
O -1.033774 2.262463 0.054177
N -0.106055 0.140873 -0.362307
N -2.402886 0.338466 0.106538
N -3.890673 -1.395468 0.213186
C 1.223871 0.831439 -0.584939
C 3.297261 0.971420 0.711626
C 1.814339 1.418779 0.728117
C 3.262515 -0.339207 -0.097776
C 3.005064 -1.565707 0.789558
C -1.169450 1.009557 -0.062098
C -0.237188 -1.250532 -0.512708
C -2.596350 -1.076785 -0.011100
C -1.453708 -1.874634 -0.337909
C -3.648282 0.903578 0.416349
C -4.534723 -0.173998 0.474456
H 1.053682 1.604141 -1.352227
H 3.688960 0.821462 1.739561
H 1.290880 0.994447 1.602891
H 1.691740 2.512375 0.764616
H 4.183480 -0.477143 -0.685455
H 2.107565 -1.412194 1.427458
H 3.889468 -1.707128 1.447329
H 0.681265 -1.773189 -0.792819
H 4.077326 2.802249 0.338521
H -1.561465 -2.951877 -0.459966
H 2.764191 -3.544846 0.432123
H -3.766502 1.973383 0.554668
H -5.600835 -0.144357 0.688831


