%chk=000043521.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043521

0 1
 O   0.3049000      0.1208000      -2.100100    
 N   -2.792000       1.521100      0.8271000    
 C   -2.274000     -0.3705000     -0.7419000    
 C   -3.213500      0.6644000      -1.428600    
 C   -3.030100     -0.8966000      0.5136000    
 C   -1.055300      0.4050000     -0.2335000    
 C   -3.546300       1.808100     -0.4283000    
 C   -3.368200      0.2953000       1.454100    
 C   0.3208000      4.1099999E-02 -0.6551000    
 C   -1.412100       1.400200      0.5995000    
 C   0.6556000      -1.409800     -0.2440000    
 C    1.429100       1.005300     -0.1717000    
 C   0.2035000      -1.856700      0.9684000    
 C    1.676700       1.077600       1.172000    
 C    1.387600      -2.173200      -1.113500    
 C    2.101900       1.734600      -1.113700    
 C   0.5062000      -3.166800       1.339800    
 C    2.676000       1.947600       1.608000    
 C    1.690200      -3.483200     -0.7422000    
 C    3.101200       2.604600     -0.6777000    
 C    1.249600      -3.980000      0.4845000    
 C    3.388300       2.711200      0.6833000    
 H   -2.017700      -1.185300      -1.425000    
 H   -4.140300      0.1819000      -1.761000    
 H   -2.735800       1.084100      -2.322400    
 H   -2.466600      -1.659100       1.056300    
 H   -3.964300      -1.382400      0.2043000    
 H   -3.241300       2.778800     -0.8374000    
 H   -4.623600       1.859600     -0.2326000    
 H   -4.450900      0.3975000       1.591000    
 H   -2.925800      0.1390000       2.445300    
 H  -0.8046000       2.131400       1.106700    
 H  -0.2683000      0.8570000      -2.375700    
 H  -0.3435000      -1.243200       1.674400    
 H    1.135100      0.5097000       1.918000    
 H    1.754400      -1.805000      -2.065400    
 H    1.917500       1.688700      -2.180400    
 H   0.1706000      -3.551100       2.298700    
 H    2.897600       2.033200       2.667900    
 H    2.272500      -4.115500      -1.406200    
 H    3.656200       3.199700      -1.397100    
 H    1.487800      -4.999100      0.7748000    
 H    4.165700       3.389200       1.022800    


%chk=000043521-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043521

0 1
O 0.193336 0.152660 -2.141915
N -2.955906 1.732887 0.739213
C -2.343517 -0.425618 -0.552582
C -3.296541 0.451786 -1.431514
C -3.144552 -0.803109 0.735898
C -1.144161 0.435391 -0.153458
C -3.640117 1.746491 -0.611836
C -3.463566 0.529488 1.501945
C 0.256946 0.070186 -0.650614
C -1.515973 1.566525 0.513159
C 0.634190 -1.393835 -0.341996
C 1.373959 1.004942 -0.118290
C 0.354160 -1.954640 0.928375
C 1.547668 1.223613 1.273715
C 1.322544 -2.174695 -1.301328
C 2.280954 1.617827 -1.017057
C 0.755980 -3.272460 1.237710
C 2.586894 2.050050 1.750328
C 1.722451 -3.494257 -0.993358
C 3.322294 2.447439 -0.540824
C 1.444482 -4.048662 0.277302
C 3.477962 2.671889 0.844606
H -2.027196 -1.326067 -1.102718
H -4.210703 -0.127995 -1.661734
H -2.807772 0.696594 -2.391657
H -2.559588 -1.499674 1.361752
H -4.074423 -1.325261 0.439297
H -3.313871 2.658216 -1.140332
H -4.726237 1.835752 -0.428351
H -4.550733 0.666147 1.645823
H -2.989728 0.545013 2.498187
H -0.846038 2.351540 0.876520
H -0.133093 1.062427 -2.366808
H -0.183111 -1.362159 1.678556
H 0.876059 0.741516 1.991559
H 1.525861 -1.744847 -2.285617
H 2.183708 1.424026 -2.089730
H 0.531735 -3.691883 2.225116
H 2.701982 2.207201 2.828777
H 2.251836 -4.089722 -1.746032
H 4.013945 2.911720 -1.253153
H 1.757908 -5.071422 0.515197
H 4.284773 3.314178 1.214871


