%chk=000042104.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042104

0 1
 O    3.522400       1.953400      5.9900001E-02
 N   0.4856000      -2.587800     -0.3997000    
 N   -2.018600       1.869500     -6.2300000E-02
 N   -3.522800      0.1623000     -1.8700000E-02
 C  -0.5136000     -0.9084000      0.6528000    
 C   -1.519300     -0.1021000       1.376000    
 C   0.7895000     -0.4823000      0.2721000    
 C  -0.6711000      -2.206900      0.2261000    
 C    1.395300      -1.554600     -0.3865000    
 C   -2.388800      0.6498000      0.4171000    
 C   -2.999100       2.352200     -0.9871000    
 C   -4.041100       1.224700     -0.9349000    
 C    1.514300      0.7164000      0.4249000    
 C    2.694500      -1.487800     -0.9018000    
 C   -1.810700      -3.135800      0.3493000    
 C    2.814800      0.7977000     -8.5699998E-02
 C    3.394000     -0.2887000     -0.7384000    
 C    2.874700       3.028400      0.7367000    
 H   -2.154400     -0.7397000       2.002000    
 H   -1.034700      0.6132000       2.050400    
 H   0.6527000      -3.495000     -0.8133000    
 H   -2.578400       2.461200      -1.991000    
 H   -3.422800       3.307800     -0.6652000    
 H   -1.168600       2.369600      0.1666000    
 H   -4.999100       1.594600     -0.5542000    
 H   -4.208700      0.7999000      -1.930200    
 H    1.018900       1.528500      0.9421000    
 H    3.146200      -2.333100      -1.410000    
 H   -2.125000      -3.225000       1.394100    
 H   -2.662900      -2.775800     -0.2358000    
 H   -1.559700      -4.139900     -8.1000002E-03
 H    4.405800     -0.2100000      -1.129300    
 H    3.579300       3.866200      0.7604000    
 H    2.649800       2.772500       1.777800    
 H    1.989000       3.373000      0.1921000    


%chk=000042104-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042104

0 1
O 3.542478 2.062702 0.170404
N 0.573175 -2.630907 -0.447632
N -1.887104 1.489474 -0.499341
N -3.797989 0.684448 0.514229
C -0.540897 -0.975894 0.658711
C -1.614964 -0.189891 1.378198
C 0.780654 -0.487827 0.304264
C -0.639184 -2.289995 0.180093
C 1.459832 -1.547659 -0.387204
C -2.479890 0.651479 0.457298
C -2.950609 2.068179 -1.355176
C -4.236171 1.679430 -0.530376
C 1.444173 0.755328 0.515760
C 2.779137 -1.399224 -0.868361
C -1.776912 -3.268258 0.250141
C 2.762304 0.895087 0.032735
C 3.423847 -0.169063 -0.653906
C 2.936085 3.190061 0.875469
H -2.299704 -0.847600 1.937715
H -1.142000 0.480539 2.123624
H 0.770983 -3.533843 -0.873487
H -2.951357 1.608735 -2.365092
H -2.836303 3.160792 -1.468865
H -0.930554 1.344658 -0.825900
H -4.668548 2.561804 -0.021214
H -5.024944 1.236792 -1.163101
H 0.939934 1.564175 1.053780
H 3.296833 -2.209219 -1.393935
H -1.511494 -4.172164 0.832494
H -2.653009 -2.802751 0.728867
H -2.093356 -3.601591 -0.757217
H 4.445854 0.004256 -1.003378
H 3.700235 3.981539 0.869468
H 2.682749 2.925163 1.921365
H 2.024113 3.549246 0.357773


