%chk=000043810.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043810

0 1
 O    4.206000      -3.191900      -1.106900    
 O    2.048600      -2.785800      -1.119500    
 O    6.608100       2.084500       1.080400    
 O    7.322800      0.1251000      0.3954000    
 N   -3.534100      9.1000004E-03  0.1170000    
 N   7.3700003E-02  0.2404000     -0.1270000    
 N    1.081900     -0.6187000     -0.3736000    
 N    3.230500      -2.434100     -0.8946000    
 N    6.392400      0.9341000      0.6284000    
 C   -2.451400       1.908100     -0.2770000    
 C   -3.816300       2.209400      6.5000001E-03
 C   -1.429300       2.951900     -0.5655000    
 C   -4.364400       3.594000     -3.8000001E-03
 C   -2.087900       4.298400     -0.9119000    
 C   -3.238600       4.640900      4.9400002E-02
 C   -2.309100      0.5401000     -0.1986000    
 C   -4.459000       1.014300      0.2439000    
 C   -3.817100      -1.348000      0.2877000    
 C   -1.114300     -0.2267000     -0.3968000    
 C   -5.085900      -1.824400     -1.2000000E-02
 C   -2.824500      -2.200400      0.7511000    
 C   -5.367900      -3.180100      0.1554000    
 C   -3.106700      -3.556300      0.9184000    
 C   -4.378400      -4.046100      0.6205000    
 C    2.413900     -0.2494000     -0.1297000    
 C    3.473100      -1.129800     -0.3801000    
 C    2.688300       1.027100      0.3745000    
 C    4.788500     -0.7388000     -0.1296000    
 C    5.053600      0.5351000      0.3730000    
 C    4.003400       1.418100      0.6250000    
 H  -0.7941000       3.079500      0.3196000    
 H  -0.7828000       2.646300      -1.395700    
 H   -4.946000       3.734700     -0.9230000    
 H   -5.045500       3.744300      0.8413000    
 H   -1.331400       5.090800     -0.8863000    
 H   -2.478900       4.262000      -1.936900    
 H   -3.647600       5.627900     -0.1944000    
 H   -2.842800       4.701600       1.071400    
 H   -5.492200      0.8287000      0.5072000    
 H   -1.207900      -1.226800     -0.8567000    
 H   -5.875300      -1.186800     -0.3991000    
 H   -1.858000      -1.869500       1.113200    
 H   -6.356700      -3.562800     -8.0300003E-02
 H   -2.345000      -4.226800       1.305800    
 H   -4.599400      -5.100800      0.7557000    
 H   0.8754000      -1.541300     -0.7307000    
 H    1.898400       1.744100      0.5835000    
 H    5.610400      -1.423700     -0.3248000    
 H    4.172700       2.418000       1.016300    


%chk=000043810-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043810

0 1
O 4.386928 -3.385295 -0.512247
O 2.131239 -3.061946 -0.417296
O 6.755080 2.407259 0.023990
O 7.503844 0.260177 -0.220027
N -3.578393 -0.034322 0.100824
N 0.125683 0.254087 -0.016796
N 1.162891 -0.661383 -0.145249
N 3.368872 -2.602441 -0.404244
N 6.555514 1.132717 -0.103554
C -2.430299 1.944190 -0.018203
C -3.831709 2.229238 -0.002600
C -1.367094 3.010550 -0.107156
C -4.393910 3.632275 -0.049282
C -1.989138 4.380511 -0.486110
C -3.289823 4.662886 0.306202
C -2.271192 0.532158 0.044268
C -4.511776 1.000853 0.067568
C -3.922062 -1.428306 0.205727
C -1.094461 -0.282967 -0.035900
C -4.859366 -1.980835 -0.701204
C -3.358114 -2.233940 1.226296
C -5.228976 -3.338390 -0.586460
C -3.721002 -3.595007 1.322579
C -4.656790 -4.151271 0.419583
C 2.468877 -0.237968 -0.134826
C 3.573410 -1.166486 -0.261592
C 2.784662 1.156845 0.002934
C 4.909947 -0.710980 -0.250798
C 5.163954 0.658270 -0.115204
C 4.101511 1.601274 0.013003
H -0.842057 3.089839 0.867571
H -0.586916 2.714376 -0.834109
H -4.778336 3.852645 -1.066451
H -5.254804 3.736066 0.638647
H -1.249795 5.183035 -0.305067
H -2.220807 4.393919 -1.570216
H -3.653092 5.685031 0.090467
H -3.073079 4.615759 1.392185
H -5.576045 0.787340 0.143343
H -1.239050 -1.374607 -0.131416
H -5.275294 -1.353040 -1.496430
H -2.668033 -1.789477 1.950969
H -5.951663 -3.763751 -1.290905
H -3.282882 -4.215708 2.111309
H -4.938010 -5.206399 0.500454
H 1.030268 -1.692169 -0.250254
H 1.947933 1.850648 0.101746
H 5.729900 -1.427009 -0.347727
H 4.346653 2.661252 0.117757


