%chk=000049756.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049756

0 1
 O    3.076400       2.410300     -2.8400000E-02
 N   0.8607000      -2.602800     -0.1497000    
 N   -3.800700      0.9466000     -6.9499999E-02
 C  -0.5550000     -0.9774000      0.3800000    
 C   -1.788500     -0.2546000      0.7546000    
 C   0.7254000     -0.3975000      0.1587000    
 C  -0.4398000      -2.334200      0.1828000    
 C    1.595300      -1.438700     -0.1722000    
 C   -2.604000      0.2115000     -0.4648000    
 C    1.229500      0.9174000      0.2084000    
 C   -1.439600      -3.415700      0.2763000    
 C    2.949500      -1.230000     -0.4569000    
 C    2.581900       1.141300     -7.4199997E-02
 C    3.426900      8.2599998E-02 -0.4015000    
 C   -4.530000       1.415100      -1.248900    
 C   -3.449600       2.076100      0.7927000    
 C    2.161700       3.449900      0.3126000    
 H   -2.416300     -0.8917000       1.391300    
 H   -1.483600      0.5902000       1.381800    
 H   -2.895300     -0.6699000      -1.050800    
 H   -1.965900      0.8248000      -1.116300    
 H    1.233000      -3.520900     -0.3505000    
 H   0.5293000       1.702600      0.4656000    
 H    3.608000      -2.053500     -0.7117000    
 H   -1.041700      -4.372300     -7.8299999E-02
 H   -1.761000      -3.549100       1.314300    
 H   -2.321800      -3.179100     -0.3272000    
 H    4.475400      0.2728000     -0.6185000    
 H   -4.814200      0.5702000      -1.886200    
 H   -3.939800       2.117100      -1.849000    
 H   -5.461700       1.910800     -0.9543000    
 H   -4.321800       2.723600      0.9467000    
 H   -2.649500       2.695300      0.3703000    
 H   -3.166600       1.748000       1.797500    
 H    2.723200       4.390000      0.3021000    
 H    1.769200       3.325200       1.327600    
 H    1.365000       3.547000     -0.4329000    


%chk=000049756-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049756

0 1
O 3.181427 2.402176 -0.058714
N 0.897519 -2.697675 -0.126099
N -3.802898 1.022468 -0.108315
C -0.573423 -1.037307 0.425035
C -1.831819 -0.290461 0.795618
C 0.730231 -0.443369 0.178097
C -0.436854 -2.419437 0.227507
C 1.633347 -1.506064 -0.164447
C -2.508592 0.374659 -0.433022
C 1.209109 0.896182 0.225767
C -1.446515 -3.526639 0.339281
C 2.993400 -1.266304 -0.459967
C 2.568397 1.128675 -0.068538
C 3.453327 0.060788 -0.410528
C -4.578257 1.335660 -1.326831
C -3.660174 2.208496 0.760227
C 2.338448 3.541421 0.292354
H -2.574937 -0.961753 1.264734
H -1.586373 0.482416 1.550139
H -2.706183 -0.413362 -1.184232
H -1.789208 1.094745 -0.904586
H 1.265357 -3.626262 -0.320297
H 0.529794 1.713172 0.487234
H 3.680124 -2.079371 -0.720551
H -1.615433 -4.033366 -0.631293
H -1.133409 -4.300073 1.067707
H -2.416593 -3.126233 0.675227
H 4.496103 0.308547 -0.629970
H -4.739905 0.413148 -1.912787
H -4.078318 2.084475 -1.994152
H -5.567778 1.739631 -1.045508
H -4.659129 2.628108 0.976421
H -3.037195 3.018685 0.297900
H -3.199979 1.929713 1.723090
H 3.000544 4.419208 0.246591
H 1.925170 3.439733 1.316040
H 1.504674 3.666570 -0.427632


