%chk=000052817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052817

0 1
 O  -0.1770000       5.215200      0.1408000    
 O  -0.1030000       4.016200      -1.696600    
 N   -1.106500      -1.684400      0.1694000    
 N    1.223700      -1.609800      0.2116000    
 N  -0.1279000       4.106700     -0.4452000    
 C   4.0100001E-02 -0.8489000     -0.2200000    
 C  -0.6864000      -2.751700       1.070500    
 C   0.8338000      -2.832300      0.9117000    
 C  -1.9200001E-02  0.5095000      0.4665000    
 C   -2.422700      -1.474900     -0.1886000    
 C    2.529700      -1.357500     -0.1660000    
 C  -4.5800000E-02   1.674800     -0.2978000    
 C  -4.5400001E-02  0.5842000       1.858000    
 C   -3.472500      -2.297100      0.3036000    
 C    3.628700      -1.865600      0.5732000    
 C   -2.801800     -0.4253000      -1.068600    
 C    2.835700     -0.5792000      -1.311700    
 C  -9.9100001E-02   2.918500      0.3314000    
 C  -9.8600000E-02   1.827800       2.487200    
 C  -0.1256000       2.995000       1.724000    
 C   -4.803100      -2.085200     -5.7500001E-02
 C    4.946400      -1.612000      0.1920000    
 C   -4.132400     -0.2131000      -1.429600    
 C    4.153300     -0.3256000      -1.693100    
 C   -5.133000      -1.043200     -0.9240000    
 C    5.208600     -0.8421000     -0.9411000    
 H   4.0899999E-02 -0.7553000      -1.312100    
 H   -1.123400      -3.722200      0.8106000    
 H  -0.9578000      -2.511300       2.104600    
 H    1.305300      -2.921000       1.896000    
 H    1.103100      -3.710300      0.3126000    
 H  -1.7000001E-02   1.593500      -1.381700    
 H  -1.8300001E-02 -0.3075000       2.476400    
 H   -3.267300      -3.116000      0.9887000    
 H    3.466500      -2.462400       1.467400    
 H   -2.061900      0.2288000      -1.517200    
 H    2.046900     -0.1637000      -1.933000    
 H  -0.1175000       1.887200       3.571600    
 H  -0.1669000       3.946100       2.248500    
 H   -5.582800      -2.730100      0.3372000    
 H    5.768400      -2.012200      0.7783000    
 H   -4.389100      0.5935000      -2.110100    
 H    4.358100      0.2724000      -2.576300    
 H   -6.168900     -0.8789000      -1.206200    
 H    6.234500     -0.6446000      -1.238000    


%chk=000052817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052817

0 1
O -0.719323 5.293924 0.051330
O -0.684167 3.971718 -1.806407
N -1.036108 -1.707812 0.190513
N 1.258406 -1.622368 0.357747
N -0.601016 4.146475 -0.528573
C 0.113490 -0.842141 -0.150687
C -0.671918 -2.720097 1.192105
C 0.843854 -2.898362 0.971573
C 0.013947 0.556425 0.496237
C -2.358441 -1.464006 -0.212890
C 2.574906 -1.404100 -0.083854
C -0.224270 1.695138 -0.298974
C 0.134289 0.709331 1.900734
C -3.443726 -2.121234 0.441252
C 3.608269 -2.331215 0.248297
C -2.658548 -0.586092 -1.297807
C 2.921279 -0.259926 -0.864328
C -0.352469 2.955660 0.322000
C 0.003524 1.977864 2.505334
C -0.246797 3.121935 1.717912
C -4.771062 -1.914557 0.013431
C 4.932707 -2.114136 -0.182915
C -3.990667 -0.384978 -1.709654
C 4.249658 -0.058879 -1.289650
C -5.061040 -1.045643 -1.063123
C 5.269643 -0.979358 -0.955650
H 0.179490 -0.713902 -1.255762
H -1.217178 -3.662585 1.007009
H -0.900677 -2.393533 2.230228
H 1.375827 -3.078988 1.924667
H 1.052493 -3.753693 0.294459
H -0.302121 1.633621 -1.389453
H 0.353455 -0.169753 2.516149
H -3.255957 -2.782122 1.293182
H 3.382177 -3.222650 0.841343
H -1.856090 -0.075117 -1.836896
H 2.164311 0.484256 -1.126328
H 0.102099 2.080522 3.590716
H -0.352758 4.118747 2.153478
H -5.585083 -2.431760 0.534503
H 5.706254 -2.842551 0.086658
H -4.190648 0.293153 -2.547012
H 4.487061 0.829063 -1.886765
H -6.093770 -0.884025 -1.387889
H 6.299496 -0.816251 -1.288840


