%chk=000043829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043829

0 1
 O   -1.389100       2.020200      -1.298600    
 O   -6.165200      -1.601400      0.3244000    
 N  -0.4380000      0.8973000      0.4942000    
 N   -5.079200     -0.9573000      0.1572000    
 C    1.953900      0.5463000      0.1691000    
 C    3.164100      -1.503200       1.040600    
 C    2.787800      -1.229300      -1.436200    
 C    4.438100      0.2534000     -0.2409000    
 C    2.046000     -0.4837000       1.319800    
 C    1.670600     -0.2106000      -1.150200    
 C    3.316400       1.268100      4.1600000E-02
 C    2.862900      -2.236800     -0.2769000    
 C    4.505000     -0.7614000      0.9124000    
 C    4.130500     -0.4889000      -1.551900    
 C   0.8405000       1.558800      0.4502000    
 C    1.098600       2.305500       1.749300    
 C   -1.461500       1.188200     -0.3980000    
 C   -2.728500      0.4373000     -0.2037000    
 C   -3.909700       1.007400     -0.6169000    
 C   -2.680800     -0.8052000      0.3835000    
 C   -5.088800      0.2937000     -0.4292000    
 C   -3.873600      -1.498600      0.5599000    
 H    3.219200      -2.226800       1.861700    
 H    2.575500      -1.757800      -2.372300    
 H    5.396900      0.7766000     -0.3293000    
 H    1.103400      -1.028900       1.447600    
 H    2.271600     -4.9999999E-03   2.278500    
 H    1.594500      0.4971000      -1.985900    
 H   0.7165000     -0.7497000      -1.104400    
 H    3.585500       1.801200      0.9591000    
 H    3.280200       2.013500     -0.7631000    
 H    3.643300      -2.981100     -0.4778000    
 H    1.915600      -2.783500     -0.1934000    
 H    4.740400     -0.2467000       1.852100    
 H    5.314100      -1.479800      0.7322000    
 H    4.933300      -1.202200      -1.775500    
 H    4.095400      0.2226000      -2.386000    
 H   0.8248000       2.300700     -0.3581000    
 H    1.069400       1.664000       2.634500    
 H    2.028900       2.877200       1.749200    
 H   0.2981000       3.041700       1.901500    
 H  -0.6033000      0.2655000       1.269800    
 H   -3.951400       1.989900      -1.075900    
 H   -1.761000      -1.293300      0.6861000    
 H   -6.064900      0.6553000     -0.7178000    
 H   -3.939800      -2.482200       1.001900    


%chk=000043829-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043829

0 1
O -1.332434 1.891208 -1.339977
O -6.449684 -1.527194 0.353875
N -0.455103 0.905376 0.583945
N -5.273982 -0.925677 0.203451
C 2.010302 0.533900 0.204195
C 3.212193 -1.607752 0.921394
C 2.875966 -1.127336 -1.544575
C 4.521969 0.249757 -0.203468
C 2.082936 -0.597619 1.273422
C 1.752546 -0.118035 -1.189511
C 3.392120 1.254666 0.155210
C 2.925387 -2.242912 -0.466129
C 4.574221 -0.864426 0.877116
C 4.238906 -0.386816 -1.589639
C 0.867159 1.570161 0.504621
C 1.071188 2.427381 1.776298
C -1.465901 1.112941 -0.339318
C -2.754482 0.373702 -0.102803
C -3.892557 0.769514 -0.855261
C -2.924077 -0.714908 0.794884
C -5.122303 0.133338 -0.697714
C -4.162579 -1.345236 0.937106
H 3.245823 -2.400179 1.695509
H 2.662356 -1.576564 -2.534533
H 5.490160 0.788118 -0.229612
H 1.116066 -1.141853 1.318473
H 2.273174 -0.169611 2.278929
H 1.693801 0.675116 -1.961717
H 0.771719 -0.632681 -1.184821
H 3.621012 1.714451 1.136512
H 3.358973 2.073455 -0.593275
H 3.715564 -2.979353 -0.715152
H 1.962043 -2.791794 -0.443022
H 4.800079 -0.422192 1.868870
H 5.388444 -1.579768 0.645317
H 5.050275 -1.093847 -1.855881
H 4.218202 0.397876 -2.372510
H 0.792766 2.245795 -0.369498
H 1.161912 1.807011 2.688248
H 1.979567 3.047664 1.697852
H 0.211071 3.107083 1.907989
H -0.647902 0.360609 1.425463
H -3.786549 1.588380 -1.572630
H -2.094201 -1.119189 1.384252
H -6.032651 0.393588 -1.238634
H -4.357296 -2.188047 1.601148


