%chk=000094549.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094549

0 1
 O    2.260300       2.580300     -0.2353000    
 N    1.210100      0.5206000      0.1568000    
 N   -1.830400      -1.007500     -7.2099999E-02
 C   0.2306000     -0.1880000      0.9799000    
 C   0.5777000      -1.662700       1.182900    
 C    1.025700      -2.358200     -0.1026000    
 C   -1.104900     -4.9000001E-03  0.3210000    
 C    2.132800      -1.566000     -0.7900000    
 C    1.692100     -0.1333000      -1.059300    
 C   -1.639600       1.366300      5.0799999E-02
 C   -3.092200       1.018300     -0.1664000    
 C   -3.019400     -0.4000000     -0.7037000    
 C    1.557100       1.835000      0.4380000    
 H   0.1617000      0.3007000       1.959500    
 H  -0.2553000      -2.213000       1.635800    
 H    1.408000      -1.720300       1.899800    
 H   0.1835000      -2.485800     -0.7909000    
 H    1.389600      -3.364200      0.1359000    
 H    3.024200      -1.560700     -0.1505000    
 H    2.411700      -2.053200      -1.730700    
 H    2.521400      0.4389000      -1.488700    
 H   0.8734000     -0.1145000      -1.788100    
 H   -1.493100       2.041700      0.8959000    
 H   -1.176700       1.773600     -0.8525000    
 H   -3.626700       1.027100      0.7916000    
 H   -3.603300       1.705700     -0.8458000    
 H   -3.920500     -0.9656000     -0.4476000    
 H   -2.897600     -0.4122000      -1.792700    
 H    1.115600       2.184600       1.385600    


%chk=000094549-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094549

0 1
O 2.715664 2.385780 0.151046
N 1.231311 0.560488 0.222127
N -1.989077 -1.032235 0.149643
C 0.207153 -0.194678 0.988095
C 0.645486 -1.670493 1.169654
C 1.072175 -2.317482 -0.170377
C -1.168262 -0.031397 0.339371
C 2.150787 -1.467548 -0.883005
C 1.664275 -0.013279 -1.072315
C -1.677221 1.339140 -0.122733
C -3.180462 1.050176 -0.407120
C -3.244090 -0.511840 -0.485553
C 1.820138 1.705630 0.727416
H 0.144359 0.288012 1.987809
H -0.193369 -2.236288 1.610309
H 1.495817 -1.693357 1.879473
H 0.181412 -2.419229 -0.818903
H 1.453129 -3.338810 0.017228
H 3.084103 -1.459283 -0.286674
H 2.394874 -1.899046 -1.872401
H 2.459289 0.643182 -1.464616
H 0.812521 0.007257 -1.783820
H -1.514602 2.127523 0.634725
H -1.126333 1.657067 -1.030158
H -3.802071 1.413435 0.430360
H -3.541470 1.534608 -1.329403
H -4.118790 -0.939253 0.034886
H -3.273789 -0.881034 -1.529531
H 1.412840 1.975653 1.731068


