%chk=000064526.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064526

0 1
 O  -0.7308000      -1.532900      -1.405200    
 N    2.965700       1.538200      0.1898000    
 N   0.1734000     -0.6572000      0.5436000    
 C    4.445900     -0.4250000     -0.1355000    
 C    2.083500     -0.4850000      -1.020400    
 C    2.480000     -0.5934000       1.437500    
 C    1.542900      -1.104100      0.3027000    
 C    4.385300       1.135100     -5.6899998E-02
 C    3.537500     -0.9376000      -1.277100    
 C    3.934600      -1.046300       1.185100    
 C    2.078500       1.061800     -0.9024000    
 C    2.459500      0.9576000       1.460000    
 C    1.470100      -2.640600      0.2467000    
 C    5.321000       1.685300       1.054600    
 C    4.932400       1.791700      -1.354300    
 C  -0.8450000     -0.9193000     -0.3476000    
 C   -2.161100     -0.3434000      0.1439000    
 C   -3.312900     -0.6162000     -0.8216000    
 C   -4.606700     -2.2600001E-02 -0.3275000    
 C   -5.439800     -0.7810000      0.4822000    
 C   -4.945100       1.273400     -0.6894000    
 C   -6.637400     -0.2316000      0.9400000    
 C   -6.142600       1.822700     -0.2315000    
 C   -6.988800       1.070200      0.5831000    
 H    5.476400     -0.7537000     -0.3160000    
 H    1.480200     -0.7769000      -1.885200    
 H    2.138600     -0.9725000       2.408600    
 H    3.880900     -0.5672000      -2.248500    
 H    3.600900      -2.029000      -1.348100    
 H    4.016700      -2.136700       1.147400    
 H    4.567800     -0.7482000       2.027300    
 H    2.359300       1.515400      -1.858700    
 H    1.061400       1.433800     -0.7248000    
 H    1.446800       1.336100       1.644800    
 H    3.034100       1.329500       2.314800    
 H   0.9262000      -3.011600     -0.6266000    
 H    2.450400      -3.119600      0.2019000    
 H   0.9680000      -3.037400       1.137800    
 H    6.365500       1.428500      0.8405000    
 H    5.256200       2.778800       1.112100    
 H    5.110500       1.302400       2.055100    
 H    5.988100       1.532900      -1.501200    
 H    4.413700       1.491500      -2.266900    
 H    4.866600       2.885000      -1.295200    
 H  -4.7600001E-02 -0.2066000       1.426800    
 H   -2.380300     -0.7781000       1.127300    
 H   -2.029800      0.7373000      0.2827000    
 H   -3.435100      -1.697300     -0.9698000    
 H   -3.078500     -0.2123000      -1.815500    
 H   -5.174000      -1.795000      0.7673000    
 H   -4.291900       1.868100      -1.321700    
 H   -7.296000     -0.8171000       1.574800    
 H   -6.416200       2.836600     -0.5087000    
 H   -7.921100       1.498200      0.9398000    


%chk=000064526-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064526

0 1
O -0.748448 -1.099226 -1.707800
N 3.058400 1.564455 0.307194
N 0.188939 -0.601229 0.375076
C 4.537506 -0.416285 -0.094500
C 2.208236 -0.352736 -1.126849
C 2.457515 -0.666759 1.353730
C 1.586158 -1.083313 0.118451
C 4.510171 1.146524 0.105416
C 3.680573 -0.810118 -1.332448
C 3.928391 -1.129849 1.149666
C 2.210123 1.185569 -0.874780
C 2.466879 0.890613 1.505971
C 1.499880 -2.621398 -0.061728
C 5.356787 1.597324 1.324346
C 5.101698 1.904420 -1.111259
C -0.860561 -0.648774 -0.522427
C -2.191955 -0.082404 -0.003645
C -3.398666 -0.947865 -0.462014
C -4.729873 -0.270855 -0.174038
C -5.487637 -0.597861 0.979600
C -5.229087 0.732947 -1.045791
C -6.708005 0.059714 1.258918
C -6.447500 1.392822 -0.772148
C -7.191895 1.059309 0.384031
H 5.585161 -0.750742 -0.238038
H 1.599576 -0.588706 -2.017882
H 2.041810 -1.136327 2.271902
H 4.079177 -0.347309 -2.254236
H 3.737990 -1.902767 -1.493906
H 3.980770 -2.226058 1.011755
H 4.511607 -0.908918 2.063157
H 2.569515 1.717174 -1.771476
H 1.184314 1.546952 -0.677925
H 1.444809 1.295583 1.636035
H 3.031102 1.174898 2.410341
H 0.805873 -2.853929 -0.886989
H 2.474473 -3.078588 -0.294336
H 1.116578 -3.089210 0.864396
H 6.427781 1.413444 1.122302
H 5.213149 2.680440 1.486811
H 5.107906 1.078583 2.263944
H 6.176445 1.666446 -1.213543
H 4.618868 1.661159 -2.070524
H 4.998863 2.992045 -0.948017
H -0.019090 -0.262824 1.317171
H -2.192510 0.028071 1.098206
H -2.308812 0.935385 -0.426301
H -3.349209 -1.931841 0.041185
H -3.271646 -1.132618 -1.544366
H -5.122115 -1.377708 1.659901
H -4.661673 0.988877 -1.949878
H -7.281658 -0.210104 2.153203
H -6.819699 2.160426 -1.460462
H -8.139084 1.567840 0.596498


