%chk=000003775.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003775

1 1
 O  -0.1974000      0.6454000      -2.637300    
 N    2.972900     -0.2165000      0.3701000    
 N  -0.9060000      -1.508200      -2.390600    
 C    1.736700      0.3276000     -0.2496000    
 C    4.203100      0.5813000     -8.1500001E-02
 C    3.180400      -1.683300     -2.8999999E-02
 C   0.5347000     -0.4789000      0.2561000    
 C    2.890600     -0.1439000       1.900400    
 C  -0.8579000     -6.6100001E-02 -0.3674000    
 C    4.013700       2.032800      0.3287000    
 C    5.438700     -3.9400000E-02  0.5502000    
 C    2.027900      -2.502500      0.5294000    
 C    3.263000      -1.763300      -1.544800    
 C   -1.992300      -1.000000      0.1497000    
 C   -1.278600       1.389600     -1.7899999E-02
 C  -0.6403000     -0.2413000      -1.906900    
 C   -3.242900     -0.8166000     -0.3605000    
 C  -0.8878000       1.889900       1.189600    
 C   -1.661400      -1.940100       1.079400    
 C   -2.012700       2.076100     -0.9403000    
 C   -4.258800      -1.652600      0.1029000    
 C   -1.265500       3.195500       1.503400    
 C   -2.677200      -2.776100       1.542800    
 C   -2.390300       3.381700     -0.6267000    
 C   -3.975900      -2.632300       1.054600    
 C   -2.016700       3.941400      0.5952000    
 H    1.852500      0.3680000      -1.332900    
 H    1.597000       1.353400      9.5399998E-02
 H    4.265200      0.5612000      -1.172600    
 H    4.090100      -2.063100      0.4398000    
 H   0.4452000     -0.4750000       1.337500    
 H   0.5404000      -1.440500     -0.2048000    
 H    2.039700     -0.6694000       2.322500    
 H    3.766400     -0.6093000       2.353900    
 H    2.778500      0.8923000       2.221800    
 H    4.885300       2.600200     -2.6200000E-02
 H    3.161000       2.527800     -0.1406000    
 H    3.995000       2.208700       1.406200    
 H    6.301300      0.5744000      0.2531000    
 H    5.472800     -2.7500000E-02   1.640700    
 H    5.695500      -1.032300      0.1760000    
 H    2.536200      -3.425400      0.8700000    
 H    1.392200      -2.979800     -0.2303000    
 H    1.529300      -2.263900       1.464000    
 H    3.407400      -2.816700      -1.821200    
 H    2.353300      -1.460100      -2.068200    
 H    4.120700      -1.246400      -1.978700    
 H   -3.492300     -9.2900001E-02  -1.124500    
 H  -0.3275000       1.336800       1.931600    
 H  -0.6903000      -2.116400       1.511700    
 H   -2.335700       1.674600      -1.893200    
 H   -1.194300      -2.285800      -1.807200    
 H  -0.7767000      -1.717100      -3.375100    
 H   -5.268500      -1.546500     -0.2831000    
 H  -0.9799000       3.629600       2.457200    
 H   -2.458700      -3.539300       2.284200    
 H   -2.978500       3.961800      -1.331800    
 H   -4.766500      -3.284400       1.414100    
 H   -2.312600       4.957200      0.8404000    


%chk=000003775-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003775

1 1
O 0.315676 -1.561374 -2.130372
N 2.963716 -0.322999 0.565280
N -1.973447 -1.393940 -2.366933
C 1.558651 0.038320 0.000226
C 3.842151 1.009457 0.482830
C 3.652163 -1.468351 -0.301574
C 0.361776 -0.765199 0.549231
C 2.892053 -0.774911 2.014398
C -0.955387 -0.481929 -0.272187
C 3.386276 2.072113 1.507413
C 5.353615 0.754672 0.640223
C 2.903896 -2.814966 -0.254514
C 3.853211 -1.056669 -1.774808
C -2.181624 -1.093913 0.462899
C -1.095146 1.052888 -0.452578
C -0.814261 -1.195448 -1.666713
C -3.450520 -0.455473 0.424527
C -1.296777 1.858603 0.702097
C -2.087058 -2.358567 1.103078
C -0.958388 1.695315 -1.707451
C -4.583976 -1.055969 1.017997
C -1.361749 3.264271 0.603572
C -3.217714 -2.957146 1.700280
C -1.027795 3.105521 -1.809311
C -4.473205 -2.309088 1.660500
C -1.227496 3.895850 -0.656483
H 1.622981 -0.101551 -1.086296
H 1.402595 1.105637 0.207016
H 3.629541 1.380427 -0.535005
H 4.630729 -1.587940 0.196003
H 0.161885 -0.492553 1.601052
H 0.569842 -1.844419 0.508815
H 2.297934 -1.692641 2.090155
H 3.910812 -0.969173 2.381933
H 2.419058 0.006999 2.622908
H 3.832765 3.035837 1.205945
H 2.295476 2.229710 1.546572
H 3.751060 1.851289 2.525021
H 5.858731 1.736541 0.631564
H 5.604526 0.280007 1.605673
H 5.794509 0.162566 -0.175916
H 3.546073 -3.555560 -0.764284
H 1.956832 -2.768360 -0.816045
H 2.731019 -3.203232 0.762716
H 4.525527 -1.801723 -2.236334
H 2.904757 -1.091680 -2.336941
H 4.326121 -0.071814 -1.914969
H -3.554480 0.525664 -0.051442
H -1.431469 1.381165 1.680307
H -1.134993 -2.899793 1.131036
H -0.806564 1.106182 -2.618269
H -2.886295 -1.187689 -1.959059
H -1.923670 -1.846101 -3.280938
H -5.550339 -0.541941 0.979761
H -1.531540 3.865321 1.503521
H -3.120880 -3.932318 2.189514
H -0.929990 3.582379 -2.790506
H -5.350522 -2.774156 2.121670
H -1.287175 4.986249 -0.737105


