%chk=000013944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013944

0 1
 O   -3.624300      -2.468300      0.4084000    
 O  -1.2100000E-02  -1.209600      0.6896000    
 O  -0.8457000       3.067900     -0.9342000    
 O    3.436600       1.833900      0.1184000    
 N  -0.5302000      0.9630000      2.5400000E-02
 N    1.274100       2.446000     -0.3490000    
 C   -1.914000      0.6224000     -0.2004000    
 C   -2.604300      0.2574000       1.116200    
 C   -2.027200     -0.5107000      -1.222700    
 C   -4.059500     -0.1568000      0.8933000    
 C   -3.482500     -0.9231000      -1.446600    
 C   -4.188600      -1.277900     -0.1374000    
 C    1.651600      0.4922000       1.038900    
 C   0.3097000     -2.8200001E-02  0.5570000    
 C    2.663100     -0.6427000       1.192900    
 C  -9.8200001E-02   2.221900     -0.4359000    
 C    2.229900       1.620300      0.2177000    
 C    3.095800      -1.185400     -0.1658000    
 C    4.131400      -2.298600     -8.2000000E-03
 C    4.594600      -2.823600      -1.357800    
 H   -2.451300       1.485100     -0.6133000    
 H   -2.576500       1.118100       1.796600    
 H   -2.095200     -0.5561000       1.643200    
 H   -1.477200      -1.412800     -0.9477000    
 H   -1.598900     -0.1834000      -2.179000    
 H   -4.482900     -0.4797000       1.851900    
 H   -4.634800      0.7146000      0.5574000    
 H   -4.018500     -0.1011000      -1.936800    
 H   -3.504300      -1.780100      -2.130200    
 H   -5.248900      -1.477100     -0.3279000    
 H    1.461400      0.9114000       2.037100    
 H    2.245800      -1.452600       1.803900    
 H    3.546000     -0.2739000       1.730900    
 H    2.230900      -1.582000     -0.7104000    
 H    3.530700     -0.4049000     -0.7971000    
 H    1.617700       3.291400     -0.7964000    
 H   -3.725900      -3.171700     -0.2551000    
 H    3.705200      -3.124500      0.5730000    
 H    4.999800      -1.924700      0.5465000    
 H    5.059500      -2.029000      -1.950100    
 H    3.754700      -3.231900      -1.929100    
 H    5.332000      -3.620700      -1.221300    


%chk=000013944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013944

0 1
O -4.104387 -2.154330 0.828507
O -0.177967 -0.868212 1.877578
O -0.378420 2.514342 -1.369330
O 3.369156 2.363600 1.341393
N -0.306489 0.757803 0.204149
N 1.469173 2.371566 0.016303
C -1.672898 0.301578 -0.245828
C -2.753711 0.515827 0.840855
C -1.669942 -1.159612 -0.753575
C -4.146493 0.182414 0.253556
C -3.061180 -1.490819 -1.345292
C -4.202698 -1.240979 -0.331249
C 1.792098 0.506657 1.605555
C 0.362017 0.085682 1.256605
C 2.788353 -0.657140 1.258325
C 0.219557 1.905635 -0.443432
C 2.288272 1.812742 1.007171
C 2.888744 -0.985052 -0.247078
C 3.891455 -2.129094 -0.522792
C 4.007112 -2.473856 -2.022949
H -1.903676 0.965401 -1.100045
H -2.736644 1.565927 1.189246
H -2.552171 -0.141718 1.702309
H -1.447498 -1.843304 0.082646
H -0.890697 -1.291024 -1.528944
H -4.917006 0.270269 1.040520
H -4.406839 0.901606 -0.548718
H -3.248928 -0.866864 -2.243194
H -3.084026 -2.546569 -1.683855
H -5.181107 -1.393611 -0.837647
H 1.822934 0.621990 2.705674
H 2.452600 -1.548491 1.819732
H 3.780776 -0.361938 1.646931
H 1.892792 -1.276178 -0.640408
H 3.205883 -0.085000 -0.812808
H 1.797050 3.231217 -0.436964
H -4.089659 -3.089785 0.502689
H 3.579831 -3.030153 0.043300
H 4.887421 -1.841496 -0.129275
H 4.346175 -1.597681 -2.607059
H 3.030977 -2.794100 -2.433671
H 4.729561 -3.292747 -2.193032


