%chk=000001561.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001561

0 1
 O   0.5968000      -1.939600      0.9228000    
 O    2.878900       2.849800     -0.3414000    
 N    1.202600     -0.7304000      0.5926000    
 C   -3.414700      0.1669000      0.6489000    
 C   -1.959600      0.2062000      0.1663000    
 C   -4.427000     -9.8999999E-03 -0.4851000    
 C  -0.9060000      0.3613000       1.266400    
 C   -5.857600     -7.4199997E-02  5.4900002E-02
 C   0.4896000      0.4545000      0.7479000    
 C   -6.868700     -0.2833000      -1.072300    
 C    2.533900     -0.7216000      0.1016000    
 C    1.004400       1.660600      0.4513000    
 C    3.149200      0.4988000     -0.2329000    
 C    2.391000       1.761100     -6.5800004E-02
 C   -8.293800     -0.3149000     -0.5435000    
 C    3.269400      -1.904600     -6.5099999E-02
 C    4.460400      0.5370000     -0.7193000    
 C    4.578900      -1.867800     -0.5506000    
 C    5.172300     -0.6501000     -0.8766000    
 H   -3.635500       1.094000       1.192100    
 H   -3.526400     -0.6553000       1.366500    
 H   -1.754900     -0.7137000     -0.3967000    
 H   -1.856500       1.032000     -0.5499000    
 H   -4.334800      0.8228000      -1.192500    
 H   -4.200000     -0.9303000      -1.036500    
 H   -1.143500       1.269400       1.838600    
 H   -1.005300     -0.4513000       1.996500    
 H   -5.942300     -0.8938000      0.7789000    
 H   -6.088700      0.8549000      0.5901000    
 H   -6.656200      -1.224100      -1.593400    
 H   -6.777400      0.5234000      -1.808900    
 H   0.4445000       2.581300      0.5716000    
 H   -8.548600      0.6263000     -4.5899998E-02
 H   -8.999900     -0.4663000      -1.365900    
 H   -8.427900      -1.130600      0.1740000    
 H    2.835700      -2.870900      0.1800000    
 H    4.939700       1.476700     -0.9790000    
 H    5.135900      -2.792200     -0.6742000    
 H    6.190600     -0.6266000      -1.253700    
 H   0.2154000      -2.212300      7.0400000E-02


%chk=000001561-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001561

0 1
O 0.534256 -1.847643 0.831826
O 3.166625 2.965995 -0.169180
N 1.175971 -0.607792 0.459699
C -3.387177 0.185498 0.644348
C -1.935823 0.238649 0.118280
C -4.427176 -0.055960 -0.472710
C -0.906620 0.508107 1.253626
C -5.879496 -0.124791 0.051371
C 0.523394 0.587933 0.766232
C -6.920762 -0.356053 -1.067470
C 2.516731 -0.688283 0.038403
C 1.192811 1.783864 0.553946
C 3.214300 0.538083 -0.197801
C 2.559981 1.858541 0.045462
C -8.368822 -0.431129 -0.537276
C 3.158224 -1.939819 -0.162751
C 4.554191 0.478584 -0.659411
C 4.487980 -1.962720 -0.617305
C 5.191316 -0.754239 -0.874013
H -3.621262 1.138091 1.163146
H -3.473904 -0.614907 1.408375
H -1.704451 -0.719053 -0.395472
H -1.842926 1.032091 -0.648940
H -4.348159 0.753003 -1.228307
H -4.186114 -1.001246 -1.003225
H -1.153383 1.473987 1.728431
H -1.000400 -0.277389 2.025887
H -5.962328 -0.939208 0.801248
H -6.122335 0.816517 0.587232
H -6.674331 -1.293709 -1.606630
H -6.840990 0.460964 -1.813299
H 0.677457 2.724008 0.767801
H -8.651437 0.505679 -0.021018
H -9.092025 -0.595728 -1.356992
H -8.484411 -1.260049 0.186356
H 2.624215 -2.866426 0.060528
H 5.059467 1.434648 -0.833487
H 4.986039 -2.926857 -0.768138
H 6.226161 -0.788528 -1.229817
H -0.000890 -2.119514 0.033243


