%chk=000048771.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048771

0 1
 O  -0.4113000       2.404400     -2.5699999E-02
 O  -0.4180000      -2.388300     -0.3713000    
 O    3.435200     -4.3000001E-02  0.4340000    
 N    1.488800       1.151400      0.2022000    
 N    1.486200      -1.186300      3.0999999E-02
 C  -0.6545000      8.8000000E-03 -0.1998000    
 C   -1.433500      0.1009000      -1.518900    
 C   -1.592500     -6.9300003E-02  0.9720000    
 C   0.1290000       1.296400     -9.1000004E-03
 C   0.1257000      -1.295700     -0.1971000    
 C  -0.4956000      0.2568000      -2.697000    
 C  -0.9544000     -0.1020000       2.329100    
 C    2.218800     -2.7100001E-02  0.2372000    
 C   -2.923800     -0.1070000      0.8134000    
 H   -2.107700      0.9679000      -1.534700    
 H   -2.038800     -0.7970000      -1.700900    
 H   8.8000000E-02   1.181100      -2.645700    
 H   0.1985000     -0.5843000      -2.787000    
 H   -1.075100      0.2965000      -3.626000    
 H    2.015000       2.009300      0.3432000    
 H    2.010300      -2.056800      4.5800000E-02
 H  -0.2776000     -0.9551000       2.434800    
 H  -0.3963000      0.8163000       2.535200    
 H   -1.705400     -0.1976000       3.121800    
 H   -3.568800     -0.1621000       1.686700    
 H   -3.448100     -9.2600003E-02 -0.1322000    


%chk=000048771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048771

0 1
O -0.371371 2.462078 -0.102276
O -0.361085 -2.403066 -0.480837
O 3.496632 -0.026225 0.530812
N 1.515332 1.177596 0.231536
N 1.518859 -1.178813 0.056891
C -0.691465 0.022855 -0.208623
C -1.441047 0.125410 -1.577519
C -1.648763 -0.074217 1.017353
C 0.138435 1.316476 -0.030921
C 0.143439 -1.280811 -0.229894
C -0.501242 0.227775 -2.797421
C -0.971307 -0.131801 2.377082
C 2.263809 -0.010523 0.293624
C -2.996577 -0.109202 0.885819
H -2.091319 1.016367 -1.531291
H -2.075993 -0.772605 -1.673344
H 0.136612 1.129724 -2.753200
H 0.150655 -0.660277 -2.890953
H -1.098007 0.294735 -3.724079
H 2.047938 2.042799 0.372986
H 2.054725 -2.053457 0.066557
H -0.287565 -0.999083 2.459290
H -0.373048 0.778881 2.574900
H -1.718888 -0.219553 3.182182
H -3.637542 -0.181268 1.771814
H -3.507115 -0.068193 -0.079488


