%chk=000057970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057970

0 1
 I    1.333700       2.435100     -0.6272000    
 I  -0.6131000      -3.268400      0.1939000    
 I    5.257200      -2.230100      2.7000001E-03
 O   -3.366200     -0.4379000     -0.5552000    
 O  -0.6073000     -7.2600000E-02 -0.2600000    
 O   -5.796500       2.069200     -0.1664000    
 O   -3.902700       1.768500       1.057100    
 O    4.572000       1.476700       1.795500    
 N    4.130000      0.8065000     -0.4197000    
 C   -4.711800     -2.3399999E-02 -0.3802000    
 C   -5.456800      -1.065800      0.4554000    
 C   -2.647400      0.4561000      -1.395700    
 C   -1.222000     -4.0800001E-02  -1.542200    
 C   -4.924300      -1.208500       1.877000    
 C   0.6865000     -0.5200000     -0.2068000    
 C   -4.723600       1.351800      0.2524000    
 C    3.058800     -8.7600000E-02 -0.2852000    
 C    1.744500      0.3761000     -0.3410000    
 C   0.9358000      -1.877400     -1.7100001E-02
 C    3.311600      -1.446200     -9.5399998E-02
 C    2.250100      -2.341100      3.8699999E-02
 C    4.794500       1.508100      0.5895000    
 C    5.897100       2.371700      2.9999999E-02
 H   -5.181200      3.4100000E-02  -1.370700    
 H   -6.520800     -0.8068000      0.5046000    
 H   -5.376100      -2.042200     -3.7400000E-02
 H   -3.122400      0.4988000      -2.382400    
 H   -2.607800       1.464900     -0.9758000    
 H  -0.6722000      0.6148000      -2.225100    
 H   -1.231600      -1.046500      -1.976500    
 H   -5.451000      -2.018500       2.392100    
 H   -5.079000     -0.2942000       2.457500    
 H   -3.856200      -1.446900       1.881500    
 H    2.446100      -3.401100      0.1874000    
 H    4.360700       1.044300      -1.382000    
 H   -5.825800       2.958500      0.2468000    
 H    6.557900       1.773700     -0.6042000    
 H    6.485100       2.797000      0.8480000    
 H    5.462400       3.184400     -0.5586000    


%chk=000057970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057970

0 1
I 1.499373 2.509367 -0.835219
I -0.540137 -3.038022 0.827426
I 5.417096 -2.260191 -0.140126
O -3.477332 -0.293058 -0.457620
O -0.503002 0.107951 -0.099753
O -6.532687 1.712484 0.128208
O -4.365708 2.121157 0.862080
O 5.331189 0.752780 1.520254
N 4.327785 0.883858 -0.591369
C -4.888435 0.055084 -0.458576
C -5.641844 -1.117729 0.216175
C -2.607405 0.629267 -1.202676
C -1.255128 -0.038393 -1.380472
C -5.234993 -1.337343 1.687858
C 0.799074 -0.400874 -0.104648
C -5.171132 1.387170 0.256428
C 3.252240 -0.009809 -0.328417
C 1.903524 0.447834 -0.383785
C 1.069815 -1.743001 0.273167
C 3.468195 -1.381981 -0.019749
C 2.391528 -2.230758 0.313074
C 5.300982 1.246914 0.363651
C 6.323743 2.253430 -0.151040
H -5.261678 0.171213 -1.502934
H -6.726333 -0.922895 0.132950
H -5.413836 -2.022091 -0.377810
H -3.043378 0.829258 -2.208128
H -2.492009 1.582695 -0.653530
H -0.685274 0.466892 -2.185399
H -1.378372 -1.112114 -1.616382
H -5.738319 -2.232074 2.095830
H -5.516146 -0.475898 2.321690
H -4.144249 -1.477722 1.771090
H 2.581112 -3.271226 0.583248
H 4.262592 1.460177 -1.434487
H -6.711209 2.572257 0.597835
H 7.172684 1.711175 -0.607385
H 6.708641 2.834749 0.700274
H 5.907233 2.943765 -0.906433


