%chk=000037983.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037983

0 1
 O  -0.8526000     -0.5172000       1.811100    
 N    4.819900      0.8810000     -0.6595000    
 C   -2.764400      -1.223800     -0.2260000    
 C   -3.144600      0.2478000     -0.4184000    
 C   -1.259600      -1.462600     -0.3719000    
 C   -4.655500      0.4490000     -0.3009000    
 C  -0.4284000     -0.7418000      0.6801000    
 C   0.9551000     -0.3136000      0.3265000    
 C   -5.044500       1.899800     -0.5356000    
 C    1.661100      -1.054500     -0.5945000    
 C    1.475900      0.8067000      0.9347000    
 C    2.955900     -0.6543000     -0.9248000    
 C    2.770800       1.207000      0.6044000    
 C    3.510700      0.4765000     -0.3254000    
 H   -3.098500      -1.561100      0.7628000    
 H   -3.290100      -1.837000     -0.9678000    
 H   -2.640200      0.8745000      0.3256000    
 H   -2.805500      0.5846000      -1.405700    
 H   -1.053000      -2.535000     -0.2816000    
 H  -0.9565000      -1.135900      -1.372900    
 H   -5.173900     -0.1829000      -1.031600    
 H   -4.995600      0.1403000      0.6945000    
 H   -4.567200       2.557400      0.1981000    
 H   -4.747600       2.228700      -1.536600    
 H   -6.128500       2.020900     -0.4457000    
 H    1.259700      -1.948000      -1.061400    
 H   0.9089000       1.387300       1.655900    
 H    3.524200      -1.234100      -1.647700    
 H    3.191500       2.090700       1.077400    
 H    5.222400       1.701200     -0.2258000    
 H    5.356500      0.3521000      -1.334100    


%chk=000037983-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037983

0 1
O -0.915226 0.353204 1.509993
N 5.247542 0.435961 -0.423115
C -2.745026 -1.051685 -0.123579
C -3.435648 0.266281 -0.542347
C -1.236339 -1.083332 -0.441721
C -4.944319 0.282628 -0.207899
C -0.387491 -0.212026 0.500637
C 1.070084 -0.065087 0.221188
C -5.641457 1.592416 -0.635060
C 1.724329 -0.697029 -0.874288
C 1.859504 0.739474 1.093358
C 3.101787 -0.537486 -1.092565
C 3.233503 0.910567 0.888194
C 3.883186 0.271724 -0.213480
H -2.882419 -1.196285 0.965089
H -3.240537 -1.901672 -0.635444
H -2.939385 1.112240 -0.029617
H -3.302400 0.424748 -1.634204
H -0.850273 -2.122262 -0.372499
H -1.060872 -0.764411 -1.489725
H -5.439984 -0.579757 -0.700528
H -5.071244 0.133821 0.883643
H -5.180292 2.464755 -0.134838
H -5.556369 1.749477 -1.727325
H -6.716903 1.583602 -0.377558
H 1.154573 -1.324975 -1.567353
H 1.352547 1.222319 1.935829
H 3.585634 -1.035035 -1.942011
H 3.820158 1.535689 1.572676
H 5.804667 1.012329 0.201420
H 5.715069 -0.016496 -1.203671


