%chk=000057650.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057650

0 1
 O    3.577000      0.2735000      0.5345000    
 N    1.387200     -9.2100002E-02 -0.2247000    
 N   -6.230600       1.521000      -1.032400    
 N   -4.273100     -0.2861000       2.544600    
 C    1.288600      -1.505200     -0.2314000    
 C   0.1170000      -2.129400     -0.6294000    
 C    2.325900      -3.632200      0.1734000    
 C    2.394300      -2.239000      0.1700000    
 C   4.8599999E-02  -3.522500     -0.6258000    
 C    1.153000      -4.273900     -0.2246000    
 C    2.480700      0.7048000      0.1424000    
 C    3.507100      -4.436400      0.6008000    
 C   -1.057500      -1.377700      -1.056000    
 C    2.271500       2.142000      7.0299998E-02
 C    3.354300       2.994400     -0.1454000    
 C   0.9879000       2.668300      0.2164000    
 C   -2.064500     -0.9721000     -0.2505000    
 C    3.153800       4.373100     -0.2148000    
 C   0.7874000       4.047000      0.1468000    
 C    1.870500       4.899300     -6.8800002E-02
 C   -3.216000     -0.2304000     -0.7326000    
 C   -4.255800      0.2074000      3.1999999E-03
 C   -5.343600      0.9315000     -0.5711000    
 C   -4.263900     -6.5300003E-02   1.405300    
 H    3.335100      -1.817900      0.4888000    
 H  -0.8572000      -4.039600     -0.9340000    
 H    1.085900      -5.358600     -0.2287000    
 H   0.5613000      0.3830000     -0.5739000    
 H    3.241300      -5.483800      0.7791000    
 H    4.281400      -4.408000     -0.1725000    
 H    3.922200      -4.044300       1.535400    
 H   -1.084900      -1.147800      -2.119200    
 H    4.361800       2.604900     -0.2671000    
 H   0.1200000       2.049800      0.4248000    
 H   -2.008400      -1.215900      0.8067000    
 H    3.996700       5.036900     -0.3835000    
 H  -0.2104000       4.458100      0.2693000    
 H    1.714500       5.972900     -0.1211000    
 H   -3.216700     -1.7800000E-02  -1.801800    


%chk=000057650-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057650

0 1
O 3.888643 0.280157 -0.426235
N 1.566861 0.115459 -0.072660
N -6.628176 1.262201 -1.150532
N -5.752651 -2.781121 0.663331
C 1.371393 -1.287844 -0.013873
C 0.020445 -1.798792 -0.078406
C 2.251626 -3.566816 0.312425
C 2.460886 -2.176704 0.159910
C -0.162561 -3.203087 0.102266
C 0.920937 -4.070159 0.295902
C 2.766514 0.832441 -0.220767
C 3.434809 -4.499238 0.479429
C -1.113446 -0.930353 -0.369479
C 2.619015 2.329540 -0.140475
C 3.621527 3.114507 -0.766327
C 1.560781 2.978195 0.552017
C -2.454466 -1.226834 -0.182816
C 3.552883 4.521785 -0.728132
C 1.496845 4.388059 0.594355
C 2.487258 5.162927 -0.052371
C -3.493898 -0.315994 -0.566012
C -4.862055 -0.541649 -0.402110
C -5.826947 0.439771 -0.809665
C -5.359841 -1.759076 0.178059
H 3.472931 -1.767806 0.173443
H -1.173640 -3.618609 0.045519
H 0.745703 -5.144809 0.414808
H 0.726040 0.689409 -0.002890
H 3.118994 -5.503705 0.807801
H 3.981186 -4.613957 -0.476577
H 4.157823 -4.105000 1.215798
H -0.900804 0.048735 -0.828703
H 4.444900 2.597874 -1.269909
H 0.809452 2.402542 1.108008
H -2.754061 -2.174374 0.281913
H 4.327314 5.118937 -1.221071
H 0.685467 4.880398 1.140948
H 2.434823 6.256587 -0.020005
H -3.200108 0.638302 -1.024417


