%chk=000023499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023499

0 1
 O   -1.004000     -0.6880000       2.358000    
 N   -2.006200     -0.9429000      0.2610000    
 N    2.636900      0.8977000     -0.5292000    
 C    1.294800     -0.9631000      0.2325000    
 C   -3.311300      -1.489000      0.6571000    
 C   -1.806100     -0.8267000      -1.183800    
 C   -4.442700     -0.6479000      7.2200000E-02
 C   -2.908100      2.1900000E-02  -1.813500    
 C   -4.295100     -0.5035000      -1.442800    
 C    1.095400      -2.441400      0.4232000    
 C   0.2725000     -7.0299998E-02  0.5547000    
 C    2.398900      -3.236700      0.3602000    
 C    3.243200      -2.786500     -0.8263000    
 C    2.456500     -0.4322000     -0.3229000    
 C    3.624200      -1.315400     -0.6762000    
 C  -0.9727000     -0.5916000       1.132100    
 C   0.4328000       1.304800      0.3444000    
 C    1.648300       1.751200     -0.2062000    
 C  -0.5806000       2.223600      0.6670000    
 C    1.810900       3.118100     -0.4150000    
 C  -0.3931000       3.585100      0.4476000    
 C   0.8052000       4.032900     -9.3900003E-02
 H   -3.378300      -1.510300       1.749500    
 H   -3.362800      -2.522100      0.2952000    
 H   -1.843400      -1.844900      -1.591300    
 H  -0.8429000     -0.4136000      -1.482200    
 H   -4.429100      0.3492000      0.5298000    
 H   -5.409600      -1.103300      0.3122000    
 H   -2.795100      3.0900000E-02  -2.903300    
 H   -2.812900       1.058800      -1.468500    
 H   -4.455400      -1.478400      -1.919500    
 H   -5.064700      0.1740000      -1.828600    
 H   0.6270000      -2.653200       1.390900    
 H   0.4221000      -2.804400     -0.3632000    
 H    2.967400      -3.094300       1.288100    
 H    2.175100      -4.306500      0.2822000    
 H    2.679600      -2.934600      -1.756000    
 H    4.150400      -3.396800     -0.8982000    
 H    4.083200     -0.9638000      -1.607600    
 H    4.374600      -1.212800      0.1176000    
 H   -1.529700       1.908000       1.092700    
 H    2.740400       3.493600     -0.8390000    
 H   -1.177900       4.292200      0.6980000    
 H   0.9612000       5.093300     -0.2688000    


%chk=000023499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023499

0 1
O -1.147854 -0.887416 2.286914
N -2.056601 -0.973033 0.138129
N 2.748036 0.888614 -0.483935
C 1.339597 -1.012581 0.196857
C -3.346475 -1.503711 0.637969
C -1.979755 -0.783763 -1.327197
C -4.521088 -0.612352 0.174886
C -3.130704 0.121437 -1.826712
C -4.501904 -0.423882 -1.361255
C 1.192259 -2.520653 0.379641
C 0.263388 -0.147623 0.460670
C 2.541238 -3.272375 0.417453
C 3.450502 -2.805110 -0.738996
C 2.577432 -0.436325 -0.281450
C 3.791586 -1.309798 -0.568897
C -1.032207 -0.696007 1.031339
C 0.417745 1.271302 0.280948
C 1.695151 1.746352 -0.206276
C -0.617408 2.223592 0.558613
C 1.890987 3.149917 -0.410377
C -0.398022 3.588098 0.355356
C 0.863284 4.055156 -0.136015
H -3.276081 -1.555803 1.736716
H -3.482410 -2.534160 0.246671
H -2.057211 -1.778002 -1.818112
H -0.999564 -0.354180 -1.587638
H -4.446322 0.373123 0.674897
H -5.473494 -1.073457 0.498681
H -3.088760 0.182944 -2.930835
H -2.979865 1.145220 -1.432629
H -4.692691 -1.401599 -1.851376
H -5.314016 0.257029 -1.677516
H 0.612640 -2.720691 1.300020
H 0.586121 -2.922820 -0.460680
H 3.051452 -3.081194 1.382593
H 2.357340 -4.361714 0.360226
H 2.931561 -2.969177 -1.705182
H 4.383156 -3.398888 -0.769159
H 4.306879 -0.900563 -1.456113
H 4.500352 -1.190153 0.276624
H -1.577096 1.871375 0.954068
H 2.868847 3.475369 -0.778613
H -1.191241 4.309995 0.579356
H 1.020116 5.128606 -0.289463


