%chk=000026184.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026184

0 1
 O    2.559500      0.1531000      0.9107000    
 O   -4.217500      -1.491900      0.1561000    
 O   -3.915100      0.6805000     -0.4917000    
 O    2.930100     -0.5414000      -1.277100    
 N   -2.135400     -0.6399000      0.2762000    
 N    4.545600     -0.8534000      0.3584000    
 C   -1.031200      0.2106000      0.2103000    
 C    1.331200      0.6014000      0.5317000    
 C   0.2274000     -0.2486000      0.5987000    
 C   -1.185800       1.520100     -0.2450000    
 C    1.176500       1.910800      7.6499999E-02
 C  -8.2000002E-02   2.370200     -0.3118000    
 C   -3.459400     -0.3727000     -6.3100003E-02
 C    3.322000     -0.4310000     -0.1191000    
 C    5.546500      -1.492200     -0.4640000    
 C   -5.612600      -1.375600     -0.1467000    
 H   0.3555000      -1.268200      0.9551000    
 H   -2.127600       1.945800     -0.5623000    
 H    2.032200       2.578400      2.2299999E-02
 H  -0.2011000       3.390100     -0.6660000    
 H   -1.950800      -1.580400      0.6169000    
 H    4.753900     -0.7072000       1.341300    
 H    6.457100     -0.8897000     -0.4225000    
 H    5.211100      -1.586900      -1.499400    
 H    5.748800      -2.482000     -4.7600001E-02
 H   -6.088900      -2.334500      7.4000001E-02
 H   -5.751700      -1.150300      -1.208300    
 H   -6.072000     -0.6031000      0.4772000    


%chk=000026184-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026184

0 1
O 2.746828 0.550112 0.070852
O -4.034760 -1.617281 -0.206011
O -4.052496 0.730438 -0.006365
O 2.577790 -1.827240 -0.141555
N -2.051358 -0.549842 -0.090330
N 4.625665 -0.683079 -0.022874
C -1.028876 0.433236 0.006942
C 1.362840 0.882836 0.077198
C 0.308395 -0.047469 -0.013941
C -1.303316 1.820104 0.117941
C 1.116801 2.270515 0.188958
C -0.218619 2.719261 0.208183
C -3.420901 -0.351977 -0.090221
C 3.254980 -0.774036 -0.042828
C 5.484794 -1.865803 -0.115306
C -5.511132 -1.586964 -0.224882
H 0.528470 -1.114106 -0.099011
H -2.336369 2.171513 0.131932
H 1.961053 2.961621 0.258365
H -0.421842 3.792057 0.294469
H -1.756973 -1.525897 -0.169432
H 5.031345 0.249193 0.061355
H 6.138522 -1.816481 -1.005439
H 4.836365 -2.751776 -0.202431
H 6.114109 -1.974943 0.787079
H -5.810882 -2.641108 -0.309240
H -5.874005 -1.002624 -1.087456
H -5.900129 -1.138261 0.704848


