%chk=000042657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042657

0 1
 O    1.018100      0.7553000       1.534500    
 O    3.653900       1.276900       1.326500    
 N   -2.815700      -1.846500      0.7968000    
 N   9.1399997E-02  0.1887000     -0.5004000    
 C   -2.328900     -0.1370000     -0.9626000    
 C   -3.739800      0.4622000     -0.7549000    
 C   -1.242200      0.6711000     -0.2057000    
 C   -3.773900       1.963700      -1.062300    
 C   -4.264300      0.1540000      0.6581000    
 C   -2.360700      -1.635500     -0.5845000    
 C   -1.318300       2.164300     -0.5531000    
 C   -2.703400       2.749600     -0.3152000    
 C   -4.182800      -1.340100      0.9749000    
 C   -2.748300      -3.264900       1.148100    
 C    1.158000      0.2659000      0.4142000    
 C    2.443800     -0.2945000     -2.2600001E-02
 C    3.638000      0.2328000      0.4507000    
 C    2.438000      -1.357700     -0.9161000    
 C    4.848300     -0.3130000      2.2800000E-02
 C    3.648500      -1.903200      -1.344000    
 C    4.853500      -1.380900     -0.8746000    
 C    3.686800       2.589000      0.7692000    
 H   -2.096200     -8.1600003E-02  -2.036200    
 H   -4.420900     -2.8500000E-02  -1.465000    
 H   -1.397000      0.5680000      0.8752000    
 H   -4.762700       2.375800     -0.8292000    
 H   -3.624900       2.105000      -2.140700    
 H   -5.307500      0.4820000      0.7432000    
 H   -3.701100      0.7096000       1.416700    
 H   -3.013000      -2.170700      -1.288500    
 H   -1.355600      -2.055800     -0.7119000    
 H   -1.039500       2.312600      -1.605100    
 H  -0.5844000       2.726400      3.7900001E-02
 H   -2.720200       3.794200     -0.6472000    
 H   -2.920600       2.760900      0.7588000    
 H   -4.500900      -1.486100       2.014500    
 H   -4.890100      -1.889300      0.3394000    
 H   0.2653000     -0.1324000      -1.447500    
 H   -3.390700      -3.881700      0.5092000    
 H   -3.049000      -3.417800       2.190500    
 H   -1.720000      -3.633600       1.062000    
 H    1.520800      -1.810700      -1.280900    
 H    5.791200      8.8100001E-02  0.3848000    
 H    3.652900      -2.739300      -2.037300    
 H    5.795800      -1.806800      -1.206400    
 H    2.824400       2.758100      0.1166000    
 H    4.615200       2.742400      0.2101000    
 H    3.650000       3.310500       1.590000    


%chk=000042657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042657

0 1
O 1.064625 0.796738 1.630600
O 4.101012 1.613595 0.538007
N -2.760407 -1.841800 0.632769
N 0.169876 0.265582 -0.450889
C -2.239300 -0.008161 -0.990935
C -3.679142 0.562247 -0.791322
C -1.190737 0.754780 -0.136229
C -3.720752 2.097326 -1.003175
C -4.256842 0.135961 0.583621
C -2.237323 -1.531467 -0.714668
C -1.266997 2.287532 -0.367717
C -2.688501 2.838883 -0.122068
C -4.160903 -1.388654 0.784583
C -2.573045 -3.257585 0.998240
C 1.214159 0.321645 0.457855
C 2.508705 -0.280395 -0.036951
C 3.798378 0.320577 0.105238
C 2.444708 -1.604210 -0.565701
C 4.961794 -0.419909 -0.243308
C 3.596459 -2.329042 -0.920392
C 4.867546 -1.727637 -0.745865
C 3.082779 2.670369 0.626133
H -1.969157 0.140091 -2.062247
H -4.318087 0.088532 -1.568893
H -1.357385 0.536760 0.934073
H -4.743415 2.471424 -0.797335
H -3.505238 2.322224 -2.068617
H -5.316768 0.451698 0.649603
H -3.713593 0.632786 1.407913
H -2.844708 -2.038326 -1.513936
H -1.206928 -1.928946 -0.783906
H -0.964230 2.504508 -1.414235
H -0.534555 2.780564 0.298029
H -2.714435 3.923620 -0.340890
H -2.948751 2.728348 0.948810
H -4.509726 -1.662633 1.797987
H -4.836539 -1.904610 0.048259
H 0.378858 -0.006525 -1.414633
H -3.127795 -3.966646 0.331119
H -2.920019 -3.422811 2.033910
H -1.499531 -3.515312 0.954049
H 1.460856 -2.081877 -0.646609
H 5.929121 0.076424 -0.119173
H 3.509845 -3.349712 -1.306510
H 5.780199 -2.274661 -1.006634
H 2.454788 2.533808 1.520887
H 2.441438 2.678748 -0.276888
H 3.660961 3.605653 0.680841


