%chk=000039824.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039824

0 1
 O    1.962500     -0.4552000       1.365000    
 O    2.949300     -0.2204000     -0.8218000    
 O   0.4636000      -1.766700      -1.909400    
 N   -3.451800     -7.5199999E-02 -0.1593000    
 N  -0.3314000      -2.065900      0.2540000    
 C    2.749000      -1.085100      0.3236000    
 C    2.013600      -2.341000     -0.1430000    
 C   -2.048900     -0.3239000      0.1464000    
 C   -1.726000      -1.801800     -1.7400000E-02
 C    4.116900      -1.443400      0.9026000    
 C   0.6520000      -2.025300     -0.7237000    
 C    1.714400      0.7653000      0.8138000    
 C    2.277800      0.8993000     -0.4344000    
 C   -3.761000       1.351200     -4.0700000E-02
 C   -4.319300     -0.8569000      0.7241000    
 C   0.9892000       1.783900       1.396400    
 C    2.147400       2.059600      -1.169400    
 C   -2.872100       2.183000     -0.9495000    
 C   -5.783700     -0.6579000      0.3721000    
 C   0.8414000       2.969800      0.6731000    
 C    1.417200       3.106800     -0.6024000    
 H    2.583200      -2.849700     -0.9308000    
 H    1.896500      -3.051100      0.6850000    
 H   -1.388800      0.2124000     -0.5437000    
 H   -1.791500      6.6000000E-03   1.161600    
 H   -1.962500      -2.147000      -1.030400    
 H   -2.252600      -2.435700      0.6996000    
 H    4.641000     -0.5397000       1.234500    
 H    4.751500      -1.928000      0.1532000    
 H    4.020800      -2.099300       1.774200    
 H  -7.0900001E-02  -2.264200       1.215700    
 H   -3.664500       1.706600      0.9930000    
 H   -4.786900       1.551700     -0.3663000    
 H   -4.153000     -0.6186000       1.782100    
 H   -4.156000      -1.929900      0.5948000    
 H   0.5452000       1.673300       2.379100    
 H    2.592300       2.160700      -2.152600    
 H   -3.274800       3.199800      -1.023700    
 H   -2.831800       1.775200      -1.965400    
 H   -1.854400       2.282200     -0.5634000    
 H   -6.390000      -1.416800      0.8801000    
 H   -5.961900     -0.7657000     -0.7035000    
 H   -6.165000      0.3138000      0.7007000    
 H   0.2751000       3.794200       1.097600    
 H    1.290900       4.036100      -1.151100    


%chk=000039824-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039824

0 1
O 2.152805 -0.970230 1.554634
O 2.419095 0.264065 -0.488789
O 0.138543 -2.103261 -2.123772
N -3.470772 0.081298 -0.503822
N -0.233526 -1.815112 0.157798
C 2.748493 -1.057225 0.156754
C 2.079850 -2.192504 -0.624472
C -2.008361 -0.130186 -0.403225
C -1.682003 -1.588663 0.011061
C 4.265108 -1.182315 0.286775
C 0.580254 -2.016281 -0.937251
C 1.894380 0.410870 1.770053
C 2.042861 1.128674 0.562499
C -3.874937 0.909215 -1.670698
C -4.085169 0.509383 0.779493
C 1.496487 1.027789 2.958036
C 1.792672 2.501574 0.487152
C -3.757559 0.148518 -3.005592
C -5.570333 0.115910 0.900585
C 1.244663 2.428179 2.898712
C 1.388249 3.147331 1.689185
H 2.591010 -2.291752 -1.596086
H 2.241553 -3.129972 -0.059219
H -1.539269 0.046436 -1.386470
H -1.528327 0.577948 0.315385
H -2.071476 -2.264386 -0.768583
H -2.176231 -1.839253 0.967176
H 4.666843 -0.345623 0.883018
H 4.731103 -1.158337 -0.712811
H 4.529849 -2.130819 0.784365
H 0.216290 -1.700816 1.070639
H -3.282128 1.857906 -1.722018
H -4.929469 1.207438 -1.524853
H -3.971775 1.612422 0.940512
H -3.524388 0.019307 1.598415
H 1.386847 0.461442 3.886892
H 1.900871 3.046964 -0.453871
H -4.060220 0.797327 -3.849152
H -4.407791 -0.743620 -2.992484
H -2.723692 -0.191803 -3.195701
H -5.974907 0.425198 1.882785
H -5.681291 -0.977487 0.796451
H -6.187816 0.594816 0.119304
H 0.937161 2.953080 3.808852
H 1.188455 4.223655 1.672739


