%chk=000050873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050873

0 1
 O   0.7592000     -0.7251000      0.6799000    
 N   -5.193300      0.6079000     -0.2977000    
 N   -6.401200     -0.1413000     -0.4250000    
 C   -1.612200     -0.5370000      0.2940000    
 C   -2.778300      0.4268000      8.1100002E-02
 C  -0.2999000      0.2066000      0.5053000    
 C   -4.095400     -0.3286000     -8.7399997E-02
 C    2.007400     -0.3241000      0.2802000    
 C    2.346900       1.022900      0.3330000    
 C    2.920500      -1.268400     -0.1744000    
 C    3.616900       1.431200     -7.4699998E-02
 C    4.190600     -0.8603000     -0.5820000    
 C    4.538700      0.4896000     -0.5322000    
 H   -1.514400      -1.210700     -0.5664000    
 H   -1.804000      -1.182500       1.160300    
 H   -2.848900       1.108500      0.9382000    
 H   -2.586500       1.042900     -0.8065000    
 H  -0.1353000      0.8419000     -0.3750000    
 H  -0.3700000      0.8382000       1.398700    
 H   -4.276300     -0.9395000      0.8067000    
 H   -4.011400      -1.008200     -0.9452000    
 H   -5.270300       1.237900      0.5000000    
 H    1.669900       1.783600      0.7091000    
 H    2.653200      -2.320600     -0.2151000    
 H    3.890800       2.481200     -2.9899999E-02
 H    4.908500      -1.593400     -0.9379000    
 H   -6.637100     -0.5615000      0.4737000    
 H   -7.163700      0.4995000     -0.6412000    
 H    5.528100      0.8073000     -0.8481000    


%chk=000050873-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050873

0 1
O 0.744184 -0.749439 -0.067450
N -5.357521 0.572629 0.148608
N -6.629170 -0.047920 -0.009570
C -1.662489 -0.532445 -0.021096
C -2.885812 0.407196 0.073664
C -0.344556 0.243798 0.011628
C -4.218602 -0.365260 0.012926
C 2.065803 -0.274373 -0.066360
C 2.426311 1.094224 0.017429
C 3.069231 -1.272524 -0.157107
C 3.795912 1.450461 0.008928
C 4.427447 -0.901063 -0.164407
C 4.801314 0.463807 -0.081640
H -1.708601 -1.120815 -0.957233
H -1.670290 -1.257451 0.815119
H -2.833733 0.985216 1.021982
H -2.873450 1.146509 -0.750519
H -0.273443 0.942943 -0.847618
H -0.249033 0.825975 0.952458
H -4.221686 -1.164048 0.796460
H -4.328523 -0.870766 -0.962394
H -5.275002 1.145007 1.006671
H 1.666119 1.877867 0.087298
H 2.760697 -2.320642 -0.221717
H 4.072060 2.509206 0.073723
H 5.197431 -1.677440 -0.235907
H -7.038973 -0.532026 0.799015
H -7.281510 0.496638 -0.573765
H 5.858385 0.749536 -0.087623


