%chk=000048435.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048435

0 1
 O   0.1225000       1.868500      0.2364000    
 O    3.331800      -1.423100      0.7950000    
 O  -0.9038000      -2.607400     -0.4710000    
 N  -0.4202000     -0.3287000     -0.3087000    
 N    1.220000      -1.983100      9.5799997E-02
 C    1.948100      0.3340000     -0.1374000    
 C    2.334200      0.4256000      -1.625000    
 C    2.806200       1.324800      0.6650000    
 C   0.4735000      0.7167000     -2.5500000E-02
 C    2.247600      -1.082900      0.3239000    
 C   -1.822200      1.6600000E-02 -0.5119000    
 C   -2.622800     -2.4999999E-03  0.7881000    
 C   -4.121300      0.3268000      0.6362000    
 C  -9.5500000E-02  -1.698400     -0.2639000    
 C    2.097800       1.819900      -2.160000    
 C    2.535000       1.201300       2.148200    
 C   -4.772000     -0.6644000     -0.3327000    
 C   -4.358700       1.756300      0.1476000    
 H    1.752600     -0.2860000      -2.224900    
 H    3.388100      0.1537000      -1.766500    
 H    2.602900       2.365700      0.3914000    
 H    3.874900       1.153400      0.4840000    
 H   -2.239500     -0.6925000      -1.233700    
 H   -1.870900       1.009500     -0.9719000    
 H   -2.176700      0.7035000       1.500400    
 H   -2.528600     -0.9914000       1.255700    
 H   -4.592200      0.2149000       1.620700    
 H    1.434500      -2.962300      0.2633000    
 H    1.054800       2.139800      -2.097100    
 H    2.735400       2.574800      -1.693800    
 H    2.352500       1.832700      -3.226800    
 H    1.482300       1.359800       2.399800    
 H    2.839700      0.2367000       2.562400    
 H    3.108600       1.964600       2.686300    
 H   -4.453600     -0.5072000      -1.368000    
 H   -4.545000      -1.698200     -5.1800001E-02
 H   -5.861600     -0.5493000     -0.3109000    
 H   -3.862200       2.477500      0.8049000    
 H   -5.429600       1.986800      0.1477000    
 H   -3.988500       1.910900     -0.8708000    


%chk=000048435-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048435

0 1
O 0.049483 1.883688 -0.178997
O 3.443781 -1.483930 0.477169
O -0.944051 -2.670446 -0.413653
N -0.449097 -0.373381 -0.391842
N 1.245691 -2.010125 -0.000373
C 1.972621 0.368842 -0.203867
C 2.523105 0.544627 -1.687327
C 2.710936 1.321291 0.780817
C 0.469467 0.695503 -0.226416
C 2.295041 -1.090022 0.146306
C -1.897143 -0.048947 -0.559097
C -2.617228 0.033514 0.806054
C -4.133312 0.365746 0.708889
C -0.107254 -1.738950 -0.287071
C 2.460846 1.975271 -2.256747
C 2.309043 1.127168 2.258035
C -4.933060 -0.736109 -0.029298
C -4.394034 1.759398 0.085919
H 1.966299 -0.145229 -2.353065
H 3.572565 0.194031 -1.665205
H 2.489996 2.357608 0.474819
H 3.795624 1.145842 0.662259
H -2.333184 -0.842075 -1.186591
H -1.944890 0.917005 -1.085569
H -2.116066 0.808752 1.417691
H -2.496185 -0.937227 1.325495
H -4.502057 0.397204 1.755958
H 1.469405 -3.001732 0.135178
H 1.439178 2.390681 -2.229316
H 3.121098 2.664196 -1.702962
H 2.800539 1.961734 -3.308615
H 1.230970 1.318377 2.410693
H 2.544489 0.107324 2.612089
H 2.863379 1.835962 2.898627
H -4.670494 -0.779477 -1.103110
H -4.739812 -1.734064 0.406014
H -6.019111 -0.538707 0.035142
H -3.800274 2.543665 0.591151
H -5.462522 2.030908 0.170934
H -4.135684 1.779486 -0.989617


