%chk=000058892.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058892

0 1
 O    4.929000       1.622800      0.7190000    
 O   -1.377900       1.262900      -1.012300    
 O   -1.377600      -1.493100     -0.6536000    
 N   -5.756400      -1.248500       1.324700    
 C    2.686900       2.222900      5.0299998E-02
 C    1.190600       1.913300      0.1435000    
 C    3.554800       1.268000      0.8845000    
 C   0.3726000       2.871000     -0.7211000    
 C   -1.120400       2.598600     -0.6024000    
 C    3.401500     -0.1870000      0.5069000    
 C    4.228600     -0.7263000     -0.4647000    
 C    2.436900     -0.9538000       1.139800    
 C   -2.452100      0.6352000     -0.4369000    
 C    4.087100      -2.069500     -0.8134000    
 C    2.295500      -2.297100      0.7914000    
 C    3.120500      -2.854900     -0.1853000    
 C   -2.445400     -0.7440000     -0.2606000    
 C   -3.544700       1.395400     -3.3900000E-02
 C   -3.544800      -1.371000      0.3261000    
 C   -4.644300     -0.6148000      0.7325000    
 C   -4.644200      0.7684000      0.5525000    
 C   -1.396100      -1.998500      -1.987100    
 H    2.875100       3.254100      0.3761000    
 H    3.006900       2.182900     -0.9996000    
 H   0.8649000       1.982300       1.188100    
 H   0.9960000      0.8926000     -0.1987000    
 H    3.327100       1.391400       1.950500    
 H   0.5762000       3.908500     -0.4327000    
 H   0.6790000       2.751700      -1.767700    
 H   -1.669800       3.288800      -1.252700    
 H   -1.410400       2.774500      0.4418000    
 H    4.978200     -0.1336000     -0.9806000    
 H    1.791500     -0.5314000       1.904500    
 H    5.028400       2.548500      0.9996000    
 H    4.726600      -2.503100      -1.576600    
 H    1.542300      -2.908400       1.280000    
 H    3.009200      -3.900300     -0.4577000    
 H   -3.599500       2.469300     -0.1825000    
 H   -3.539300      -2.449700      0.4648000    
 H   -5.498000       1.367500      0.8590000    
 H   -5.756900      -2.251200       1.456400    
 H   -6.553100     -0.7004000       1.620500    
 H  -0.4751000      -2.564600      -2.151000    
 H   -2.249600      -2.668500      -2.131400    
 H   -1.435500      -1.177600      -2.710000    


%chk=000058892-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058892

0 1
O 5.139859 1.669251 0.445619
O -1.379398 1.061312 -0.550861
O -1.689792 -1.749860 -0.190098
N -6.363700 -1.202610 0.950579
C 2.771342 2.174761 -0.117255
C 1.282781 1.966220 0.232953
C 3.736915 1.290083 0.720600
C 0.334610 2.754578 -0.696412
C -1.147011 2.505434 -0.391273
C 3.606020 -0.190490 0.389228
C 4.304356 -0.739537 -0.715349
C 2.746019 -1.024709 1.144133
C -2.652439 0.557120 -0.197570
C 4.137200 -2.098429 -1.061390
C 2.569188 -2.382780 0.793254
C 3.264240 -2.923743 -0.312708
C -2.775628 -0.860308 -0.065703
C -3.788263 1.360717 0.047421
C -4.008555 -1.428246 0.309232
C -5.148964 -0.618321 0.569269
C -5.022228 0.789774 0.427699
C -0.911142 -1.706736 -1.445873
H 3.039633 3.242264 0.046241
H 2.944903 1.957660 -1.189777
H 1.100386 2.265939 1.286811
H 1.027423 0.894391 0.162582
H 3.509934 1.447393 1.798747
H 0.524094 3.844614 -0.611987
H 0.532869 2.474424 -1.749729
H -1.791872 3.073457 -1.094295
H -1.402110 2.805566 0.647658
H 4.995001 -0.099108 -1.272782
H 2.211322 -0.616143 2.010575
H 5.225182 2.651172 0.548603
H 4.690086 -2.516183 -1.910844
H 1.893891 -3.013162 1.382338
H 3.135360 -3.978415 -0.582110
H -3.720425 2.449339 -0.043969
H -4.053699 -2.518743 0.404606
H -5.883822 1.440089 0.619095
H -6.445403 -2.208402 1.058455
H -7.182490 -0.629696 1.127422
H -0.082145 -2.414611 -1.292262
H -1.541271 -2.036954 -2.295189
H -0.517957 -0.695073 -1.635683


