%chk=000128363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128363

0 1
 O   -3.774500      -1.942200     -0.3893000    
 O   -1.185500       3.391600     -0.5462000    
 N   -1.552800      -1.969200      0.1766000    
 N  -0.5365000      0.7831000     -0.7749000    
 N    3.718100     -0.3953000      -1.764100    
 C  -0.2312000      -1.368700      0.3835000    
 C   0.1577000     -0.4983000     -0.8292000    
 C   0.6824000      -2.594400      0.5978000    
 C  -0.2531000      -3.648100       1.167500    
 C   -1.512800      -3.414200      0.3591000    
 C    1.664400     -0.3232000     -0.9599000    
 C   -2.742800      -1.327900     -0.1077000    
 C   -1.819900       1.070000     -0.3609000    
 C   -2.826700      0.1547000     -1.7100001E-02
 C    2.519200      0.2832000     -9.3000000E-03
 C    2.417200     -0.7316000      -2.026500    
 C    3.810100      0.2260000     -0.5390000    
 C   -2.130200       2.447500     -0.2349000    
 C   -4.083600      0.6299000      0.4257000    
 C    2.330200      0.8786000       1.253700    
 C    4.925900      0.7363000      0.1340000    
 C   -3.372600       2.905800      0.2019000    
 C   -4.354100       1.991100      0.5354000    
 C    3.437100       1.393200       1.938400    
 C    4.714100       1.322200       1.385200    
 H  -0.2861000     -0.7828000       1.309800    
 H  -0.1854000      -1.005400      -1.743000    
 H    1.520700      -2.380400       1.267300    
 H    1.086800      -2.962900     -0.3532000    
 H   0.1335000      -4.665400       1.064700    
 H  -0.4373000      -3.450200       2.230000    
 H   -1.447300      -3.873300     -0.6337000    
 H   -2.414800      -3.778000      0.8602000    
 H  -5.7000001E-03   1.580400      -1.115800    
 H    2.154400      -1.230700      -2.948800    
 H    4.498700     -0.5766000      -2.380000    
 H   -4.877100     -6.1900001E-02  0.7033000    
 H    1.343500      0.9503000       1.701100    
 H    5.920400      0.6815000     -0.2959000    
 H   -3.580800       3.968500      0.2879000    
 H   -5.326200       2.329200      0.8806000    
 H    3.297200       1.854700       2.912400    
 H    5.559600       1.728700       1.934200    
 H   -1.558000       4.278600     -0.4042000    


%chk=000128363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128363

0 1
O -3.875682 -2.034323 -0.013321
O -1.038044 3.334093 -0.534786
N -1.593155 -2.021645 0.242818
N -0.497077 0.805993 -0.619380
N 3.759691 -0.400514 -1.747279
C -0.232313 -1.452266 0.405992
C 0.141030 -0.503761 -0.786211
C 0.669775 -2.711613 0.489779
C -0.260878 -3.818310 1.037298
C -1.607666 -3.506204 0.353646
C 1.631931 -0.295771 -0.922445
C -2.795269 -1.350394 0.075125
C -1.807073 1.082948 -0.247331
C -2.855532 0.156707 0.067048
C 2.527016 0.357942 0.023371
C 2.421199 -0.738003 -1.982360
C 3.857147 0.276159 -0.524223
C -2.127724 2.486488 -0.201508
C -4.150979 0.670581 0.386959
C 2.340373 1.007489 1.274780
C 4.985100 0.812472 0.135535
C -3.395629 2.967786 0.131741
C -4.429583 2.041797 0.430527
C 3.460971 1.542543 1.937691
C 4.769046 1.446207 1.375445
H -0.168897 -0.860773 1.341698
H -0.231408 -1.016413 -1.702137
H 1.560447 -2.530599 1.112675
H 1.022861 -2.979330 -0.524642
H 0.102317 -4.834135 0.806211
H -0.363934 -3.730722 2.134556
H -1.679813 -3.969357 -0.651161
H -2.496430 -3.822717 0.923094
H 0.067415 1.627344 -0.847993
H 2.123094 -1.263343 -2.888209
H 4.535649 -0.599523 -2.374487
H -4.929497 -0.071345 0.585819
H 1.339284 1.101852 1.708593
H 5.990844 0.742936 -0.293790
H -3.587623 4.048793 0.153050
H -5.430727 2.399125 0.689108
H 3.330964 2.047538 2.901137
H 5.619821 1.875036 1.916506
H -1.304843 4.283630 -0.502238


