%chk=000130933.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130933

0 1
 O   -1.614500      -1.776900      0.5423000    
 O   -3.733700      -2.122600       1.375900    
 N   -3.180300     -0.1787000      0.2177000    
 N    2.904400     -0.8577000      -1.489400    
 C   -2.048700      0.2834000     -0.3675000    
 C   -2.040500       1.584000      -1.075400    
 C   -1.124700     -0.6584000     -0.1697000    
 C   0.2791000     -0.7041000     -0.5806000    
 C   -1.632900       2.742400     -0.1590000    
 C    1.324700     -0.2112000      0.2117000    
 C    2.640100     -0.3097000     -0.2883000    
 C   0.5483000      -1.269300      -1.818600    
 C   -2.936100      -1.418400      0.7718000    
 C   -1.598800       4.068200     -0.9035000    
 C    1.085200      0.3669000       1.470000    
 C    3.678400      0.1801000      0.4992000    
 C    1.866800      -1.321500      -2.223100    
 C    2.142500      0.8486000       2.236400    
 C    3.440600      0.7549000       1.750200    
 H   -1.341300       1.532900      -1.919600    
 H   -3.026800       1.781200      -1.513800    
 H   -2.335300       2.820500      0.6798000    
 H  -0.6417000       2.555400      0.2690000    
 H   -4.063800      0.3163000      0.2328000    
 H  -0.2349000      -1.661400      -2.459200    
 H   -2.582700       4.310100      -1.317700    
 H  -0.8772000       4.037000      -1.726100    
 H   -1.306900       4.876500     -0.2256000    
 H   8.3400004E-02  0.4534000       1.882900    
 H    4.704400      0.1185000      0.1409000    
 H    2.137900      -1.752300      -3.181400    
 H    1.954000       1.294100       3.208400    
 H    4.271600       1.128000       2.341600    


%chk=000130933-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130933

0 1
O -1.232488 -0.872255 1.350842
O -3.264869 -1.074751 2.567838
N -2.981570 0.342788 0.650337
N 3.154711 -0.442078 -1.509496
C -1.912114 0.653380 -0.221575
C -2.054567 1.673564 -1.318493
C -0.834008 -0.102148 0.202426
C 0.526026 -0.245232 -0.319905
C -2.780810 2.976042 -0.882622
C 1.690645 -0.437477 0.525248
C 2.985030 -0.530772 -0.130129
C 0.729747 -0.179534 -1.712705
C -2.613141 -0.580354 1.634054
C -2.844805 4.004013 -2.031492
C 1.644594 -0.522261 1.955926
C 4.165842 -0.713815 0.658262
C 2.045430 -0.271295 -2.253064
C 2.816033 -0.694410 2.698442
C 4.086125 -0.794378 2.049354
H -1.045914 1.931091 -1.687409
H -2.600471 1.234930 -2.180461
H -3.813456 2.746056 -0.548897
H -2.256111 3.413801 -0.012030
H -3.910877 0.755918 0.619995
H -0.120698 -0.102277 -2.396093
H -3.386187 3.595016 -2.905108
H -1.830241 4.288981 -2.366140
H -3.365001 4.924555 -1.712672
H 0.679871 -0.472133 2.465437
H 5.117706 -0.783668 0.123249
H 2.193181 -0.218001 -3.338422
H 2.759374 -0.759267 3.790521
H 4.993611 -0.933829 2.646883


