%chk=000044827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044827

0 1
 O   0.2077000     -0.6242000       2.481300    
 O   -4.155600      -1.824700     -0.3134000    
 N    2.703500      0.1060000      0.3143000    
 N  -0.8834000       2.570400     -0.5007000    
 C    2.436200      -1.302100     -1.0800000E-02
 C    4.138500      0.4093000      0.2221000    
 C    2.915400      -1.643200      -1.422700    
 C    4.673500      0.1241000      -1.182000    
 C    4.393300      -1.314600      -1.600800    
 C    2.197200      0.4282000       1.648100    
 C   0.6943000      0.1862000       1.691300    
 C  -0.1715000      0.9435000      0.7674000    
 C   -1.388700      0.5215000      0.2231000    
 C   -1.828600       1.573000     -0.5838000    
 C   0.1363000       2.186600      0.3285000    
 C   -2.182200     -0.6390000      0.3170000    
 C   -3.027300       1.521800      -1.304200    
 C   -3.383600     -0.7044000     -0.3980000    
 C   -3.797700      0.3605000      -1.195600    
 C   -3.677400      -2.879100      0.5188000    
 H    1.365000      -1.528800      1.7000001E-02
 H    2.926300      -1.968200      0.7119000    
 H    4.708900     -0.1721000      0.9586000    
 H    4.307900       1.470300      0.4427000    
 H    2.324400      -1.081100      -2.157100    
 H    2.747500      -2.707200      -1.624100    
 H    5.752300      0.3146000      -1.212900    
 H    4.206600      0.8110000      -1.899300    
 H    4.996400      -1.997700     -0.9902000    
 H    4.689900      -1.467600      -2.644200    
 H    2.672300     -0.1908000       2.420100    
 H    2.385300       1.475400       1.911800    
 H   0.9666000       2.854000      0.5123000    
 H  -0.9357000       3.457600     -0.9819000    
 H   -1.813700      -1.439400      0.9462000    
 H   -3.350400       2.350300      -1.925500    
 H   -4.733700      0.2943000      -1.745400    
 H   -2.731200      -3.288200      0.1482000    
 H   -4.414000      -3.687900      0.4702000    
 H   -3.614800      -2.569000       1.567500    


%chk=000044827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044827

0 1
O 0.028478 -1.420445 1.989262
O -5.032030 -1.277619 0.453913
N 2.911700 -0.043199 0.293830
N -0.706926 1.790366 -1.298620
C 2.953604 -1.276875 -0.538322
C 4.282942 0.430653 0.627099
C 3.718661 -1.031125 -1.853044
C 5.090437 0.730420 -0.652380
C 5.147536 -0.513079 -1.569862
C 2.093811 -0.240354 1.515945
C 0.595107 -0.528700 1.272330
C -0.159469 0.255695 0.295406
C -1.592580 0.146437 0.024901
C -1.907387 1.120397 -0.976804
C 0.334224 1.276061 -0.544832
C -2.613989 -0.688011 0.545760
C -3.216017 1.289353 -1.478261
C -3.921307 -0.519986 0.039268
C -4.221760 0.457097 -0.959355
C -4.793080 -2.307107 1.467960
H 1.915162 -1.586959 -0.754420
H 3.439229 -2.115934 0.025307
H 4.833397 -0.333484 1.237192
H 4.194154 1.342917 1.247808
H 3.164654 -0.283438 -2.454192
H 3.751993 -1.969731 -2.438588
H 6.110320 1.058800 -0.374014
H 4.606083 1.567278 -1.193263
H 5.734345 -1.311104 -1.069450
H 5.670069 -0.273447 -2.515247
H 2.464971 -1.081345 2.150769
H 2.159555 0.685041 2.124523
H 1.366803 1.604188 -0.644821
H -0.619250 2.533516 -1.989294
H -2.355870 -1.423028 1.310459
H -3.453696 2.036153 -2.243427
H -5.256406 0.535118 -1.306069
H -4.068959 -3.064070 1.108954
H -5.772736 -2.777739 1.638004
H -4.419973 -1.863411 2.411375


