%chk=000126559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126559

0 1
 O   -3.403500     -0.6864000     -0.1889000    
 O   -2.544700      -2.773200      0.3060000    
 N    2.441000      -1.652900     -0.2650000    
 N    3.225800      0.3696000      0.2105000    
 C    1.890100      0.2947000      0.4226000    
 C    1.363200     -0.9204000      0.1463000    
 C    1.161500       1.517400      0.9217000    
 C   0.6551000       2.379100     -0.2004000    
 C    3.536500     -0.8368000     -0.2096000    
 C   8.4899999E-02  -1.497500      0.1957000    
 C    2.460700      -3.035200     -0.6878000    
 C  -0.4247000       3.184100     -0.2031000    
 C  -0.8784000       4.023300      -1.363800    
 C   -1.297400       3.291900       1.019100    
 C   -1.123800     -0.8589000     -4.4000000E-03
 C   -2.412800      -1.583900      6.3900001E-02
 C   -4.733600      -1.215000     -0.1628000    
 H   0.3605000       1.195500       1.594300    
 H    1.863500       2.110200       1.521600    
 H    1.254500       2.363200      -1.110900    
 H    4.528400      -1.169800     -0.4839000    
 H   3.5200000E-02  -2.567000      0.3939000    
 H    2.219300      -3.664700      0.1724000    
 H    1.731100      -3.169200      -1.490400    
 H    3.457900      -3.287000      -1.058600    
 H  -0.2266000       3.893300      -2.233900    
 H   -1.893900       3.743700      -1.662100    
 H  -0.8707000       5.084500      -1.095300    
 H  -0.8402000       2.904300       1.932400    
 H   -1.530000       4.343900       1.219800    
 H   -2.240700       2.761200      0.8538000    
 H   -1.162500      0.1988000     -0.2349000    
 H   -4.849100      -1.987200     -0.9293000    
 H   -5.428100     -0.3989000     -0.3792000    
 H   -4.961800      -1.617100      0.8290000    


%chk=000126559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126559

0 1
O -3.421734 -0.419999 0.139963
O -2.581052 -2.582174 -0.171393
N 2.556811 -1.702387 -0.248287
N 3.391817 0.306323 0.395711
C 1.998124 0.361070 0.466081
C 1.437010 -0.884992 0.062115
C 1.306691 1.615210 0.942721
C 0.695738 2.431530 -0.191737
C 3.690935 -0.940579 -0.038871
C 0.089956 -1.390179 -0.026139
C 2.519378 -3.095220 -0.710941
C -0.524712 3.041562 -0.220476
C -0.965432 3.826957 -1.445922
C -1.541101 3.010810 0.909216
C -1.073124 -0.669353 0.101952
C -2.371210 -1.351457 0.006137
C -4.782826 -0.991329 0.055283
H 0.541511 1.359182 1.699218
H 2.081041 2.220331 1.453413
H 1.347708 2.536310 -1.071364
H 4.696019 -1.319967 -0.211541
H -0.036174 -2.467363 -0.213183
H 2.068273 -3.754708 0.051062
H 1.941491 -3.184523 -1.646820
H 3.549762 -3.435103 -0.901093
H -0.204731 3.801814 -2.245210
H -1.911048 3.420160 -1.857064
H -1.161596 4.887379 -1.190029
H -1.169684 2.515631 1.821361
H -1.836421 4.041823 1.186114
H -2.466258 2.488249 0.591884
H -1.085201 0.412488 0.236421
H -4.937162 -1.476262 -0.923957
H -5.458848 -0.133804 0.182698
H -4.937252 -1.739829 0.851378


