%chk=000104563.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104563

0 1
 O  -0.1877000      -2.200800     -0.3648000    
 O    3.334700      0.7456000      0.3924000    
 N  -0.5905000      8.8900000E-02 -0.3202000    
 N    1.601100     -0.7818000      3.1599998E-02
 N  -0.9428000       2.499500     -0.2621000    
 C   -2.017600     -0.1100000     -0.5851000    
 C   -2.830700     -0.2568000      0.6954000    
 C  -0.1192000       1.398300     -0.1717000    
 C   0.2373000      -1.048400     -0.2280000    
 C    1.187700       1.598500      6.7599997E-02
 C    2.151100      0.4890000      0.1817000    
 C   -4.311700     -0.4858000      0.4287000    
 C    2.488300      -1.936000      0.1346000    
 H   -2.130600      -1.031900      -1.170400    
 H   -2.410600      0.6795000      -1.234700    
 H   -2.442000      -1.093800       1.288100    
 H   -2.717300      0.6401000       1.315600    
 H    1.593100       2.599400      0.1875000    
 H   -4.467200      -1.400000     -0.1528000    
 H   -4.856500     -0.5854000       1.372600    
 H   -4.742300      0.3532000     -0.1268000    
 H    3.517600      -1.648700      0.3620000    
 H    2.465400      -2.481100     -0.8144000    
 H    2.115300      -2.599400      0.9214000    
 H   -1.945700       2.393400     -0.3200000    
 H  -0.5538000       3.426800     -0.1395000    


%chk=000104563-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104563

0 1
O -0.199388 -2.199711 -0.354102
O 3.457046 0.654622 0.373963
N -0.584565 0.113831 -0.300285
N 1.623368 -0.780437 0.004749
N -0.990187 2.460278 -0.212215
C -2.020786 -0.159463 -0.560189
C -2.884794 -0.185274 0.723498
C -0.088876 1.412086 -0.125006
C 0.269892 -1.030642 -0.218188
C 1.265688 1.625298 0.105620
C 2.209017 0.539173 0.174615
C -4.366425 -0.463262 0.392584
C 2.512648 -1.959647 0.074582
H -2.061202 -1.154110 -1.033545
H -2.402786 0.575653 -1.295021
H -2.492296 -0.978253 1.385997
H -2.792151 0.767646 1.281297
H 1.656073 2.633534 0.250630
H -4.478958 -1.428500 -0.134400
H -4.974575 -0.510639 1.312844
H -4.795724 0.325837 -0.254151
H 3.527437 -1.581699 0.267353
H 2.482245 -2.517829 -0.875913
H 2.188346 -2.634417 0.883902
H -1.993661 2.319073 -0.261341
H -0.639989 3.409153 -0.118579


