%chk=000045394.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045394

0 1
 O    1.792200     -0.6904000     -9.0099998E-02
 N    1.491200      -4.362100     -0.2062000    
 C    1.147400      0.3548000      0.6249000    
 C  -0.3593000      0.3025000      0.4611000    
 C   -4.587600      0.1576000      1.3000000E-03
 C   -3.106000      0.2086000      0.1623000    
 C    1.736500       1.693900      0.2328000    
 C   -1.146800      3.7099998E-02   1.565700    
 C  -0.9074000      0.5223000     -0.7889000    
 C   -2.532700     -1.0300000E-02   1.415000    
 C   -2.293400      0.4749000     -0.9396000    
 C    1.261600      -1.963200      0.2553000    
 C    1.993500      -3.030400     -0.5427000    
 C   -5.037900     -0.9636000     -0.9545000    
 C   -5.176900       1.504300     -0.4593000    
 C    1.752900       2.721000       1.159600    
 C    2.244700       1.859500      -1.043200    
 C    2.295100       3.954400      0.7985000    
 C    2.787100       3.092800      -1.404400    
 C    1.647200      -4.620400       1.224800    
 C    2.186200      -5.383400     -0.9888000    
 C    2.812300       4.140200     -0.4835000    
 H    1.405800      0.2014000       1.683000    
 H   -5.042900     -6.3699998E-02  0.9763000    
 H  -0.7119000     -0.1355000       2.545600    
 H  -0.2941000      0.7149000      -1.662900    
 H   -3.150900     -0.2193000       2.283900    
 H   -2.718200      0.6450000      -1.925000    
 H   0.1963000      -2.041600      1.5400000E-02
 H    1.403000      -2.090300       1.332800    
 H    1.844700      -2.828700      -1.611500    
 H    3.074500      -2.946500     -0.3658000    
 H   -4.695600     -0.7897000      -1.980300    
 H   -6.130900      -1.034100     -0.9752000    
 H   -4.644500      -1.933200     -0.6293000    
 H   -4.883900       2.310500      0.2223000    
 H   -6.271300       1.458700     -0.4757000    
 H   -4.839500       1.776400      -1.465200    
 H    1.351300       2.586600       2.159800    
 H    2.231800       1.062500      -1.780600    
 H    2.314200       4.770100       1.515300    
 H    3.188500       3.238400      -2.403100    
 H    1.431600      -5.672900       1.447400    
 H    2.661600      -4.409400       1.582900    
 H   0.9246000      -4.057100       1.823200    
 H    3.261400      -5.407200     -0.7768000    
 H    2.049800      -5.205700      -2.061400    
 H    1.771500      -6.376500     -0.7824000    
 H    3.234000       5.100700     -0.7649000    


%chk=000045394-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045394

0 1
O 1.650957 -0.750984 -0.131922
N 1.789601 -4.491693 -0.155304
C 1.039663 0.337953 0.657466
C -0.481759 0.352503 0.511030
C -4.856450 0.350904 0.070550
C -3.332727 0.351856 0.221842
C 1.717053 1.643815 0.225707
C -1.321241 0.182957 1.634721
C -1.079527 0.515484 -0.765054
C -2.728705 0.187747 1.491939
C -2.480304 0.512362 -0.905674
C 1.294566 -2.092697 0.353318
C 2.099900 -3.084182 -0.499425
C -5.341264 -0.832336 -0.809685
C -5.376256 1.702578 -0.488580
C 1.149139 2.889706 0.594708
C 2.939497 1.629504 -0.489072
C 1.794611 4.100333 0.260161
C 3.580968 2.842142 -0.830915
C 2.384494 -4.923793 1.126269
C 2.120778 -5.424927 -1.251265
C 3.014737 4.081679 -0.455335
H 1.276052 0.159914 1.734374
H -5.291763 0.216208 1.081664
H -0.874965 0.046601 2.628611
H -0.433256 0.640044 -1.641376
H -3.365256 0.058043 2.376153
H -2.919173 0.638275 -1.903004
H 0.210653 -2.285617 0.232375
H 1.548431 -2.172642 1.433504
H 1.824986 -2.913772 -1.556213
H 3.190026 -2.849783 -0.401547
H -4.950032 -0.746726 -1.840601
H -6.445664 -0.846136 -0.867734
H -5.002534 -1.800619 -0.399418
H -5.067866 2.546453 0.154409
H -6.480459 1.698188 -0.551290
H -4.981116 1.889897 -1.504372
H 0.195679 2.912123 1.135480
H 3.368202 0.665933 -0.776563
H 1.344092 5.055861 0.552319
H 4.523769 2.818210 -1.389796
H 2.062275 -5.956027 1.352086
H 3.505062 -4.904317 1.118062
H 2.038681 -4.277390 1.950895
H 3.215712 -5.471662 -1.483815
H 1.588197 -5.124836 -2.170928
H 1.788776 -6.444084 -0.982131
H 3.514561 5.020850 -0.718720


