%chk=000046803.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046803

1 1
 N    1.254500       1.028000      0.1939000    
 N   -3.861500     -0.4567000      3.3399999E-02
 C    2.499100     -0.4433000      -1.421500    
 C    3.484800      3.5399999E-02  0.7967000    
 C    3.804400     -0.1348000     -0.6884000    
 C    1.516400      0.7299000      -1.220100    
 C    2.489600       1.202500      0.9692000    
 C    1.943800      -1.793100     -0.9294000    
 C    2.962600      -1.298400       1.362700    
 C    1.783300      -1.893900      0.5894000    
 C   0.3753000       2.185700      0.3348000    
 C  -0.9592000       1.981400     -0.3845000    
 C   -1.766000      0.8026000      0.1675000    
 C   -3.095300      0.6649000     -0.5612000    
 C   -5.198800     -0.6519000     -0.6954000    
 C   -3.071100      -1.769500     -6.2199999E-02
 C   -4.161800     -0.1887000       1.515100    
 H    2.707500     -0.5325000      -2.495200    
 H    4.407400      0.2937000       1.331600    
 H    4.532800     -0.9410000     -0.8381000    
 H    4.257100      0.7814000      -1.087400    
 H    1.919500       1.617100      -1.727000    
 H   0.5977000      0.4443000      -1.742100    
 H    2.242100       1.295300       2.034000    
 H    2.990500       2.134700      0.6745000    
 H    2.632300      -2.584900      -1.253100    
 H   0.9828000      -2.005600      -1.412900    
 H    2.685600      -1.178900       2.416800    
 H    3.785900      -2.024800       1.341900    
 H   0.8547000      -1.401200      0.8971000    
 H    1.657800      -2.946200      0.8721000    
 H   0.1713000       2.366900       1.397800    
 H   0.8557000       3.091900     -5.6400001E-02
 H   -1.550400       2.895500     -0.2351000    
 H  -0.8386000       1.901400      -1.470100    
 H   -1.160100     -9.8700002E-02  4.7699999E-02
 H   -1.897300      0.9798000       1.238500    
 H   -3.696200       1.577700     -0.4717000    
 H   -2.941400      0.4516000      -1.625800    
 H   -5.736600      -1.483500     -0.2307000    
 H   -5.772400      0.2753000     -0.6054000    
 H   -4.984100     -0.8717000      -1.745300    
 H   -2.717100      -1.886600      -1.090600    
 H   -2.242100      -1.761700      0.6497000    
 H   -3.746500      -2.591000      0.1983000    
 H   -3.251700     -0.2970000       2.109300    
 H   -4.583900      0.8162000       1.606700    
 H   -4.889400     -0.9338000       1.853100    


%chk=000046803-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046803

1 1
N 1.239434 1.156295 0.030315
N -3.703494 -0.598763 0.120861
C 2.488696 -0.498893 -1.430549
C 3.287099 -0.072853 0.900562
C 3.751406 -0.294174 -0.559133
C 1.622047 0.783234 -1.361192
C 2.412163 1.204557 0.956355
C 1.756682 -1.795393 -0.984029
C 2.589437 -1.360880 1.421110
C 1.409513 -1.827213 0.528769
C 0.449791 2.409524 0.083957
C -0.992338 2.232777 -0.456037
C -1.718560 1.091383 0.301087
C -3.023764 0.706734 -0.401878
C -5.047827 -0.752816 -0.588529
C -2.834653 -1.815751 -0.193828
C -3.937641 -0.514446 1.626072
H 2.785928 -0.621535 -2.491316
H 4.167797 0.122226 1.544135
H 4.414435 -1.177851 -0.623920
H 4.331726 0.578597 -0.918250
H 2.190102 1.617713 -1.849666
H 0.698960 0.633791 -1.955770
H 2.026229 1.357645 1.983107
H 3.067660 2.080773 0.716627
H 2.420540 -2.651683 -1.220033
H 0.836938 -1.939896 -1.589542
H 2.236902 -1.211279 2.460944
H 3.354278 -2.162973 1.460778
H 0.553318 -1.151981 0.714703
H 1.107081 -2.853638 0.820499
H 0.399900 2.732696 1.142192
H 0.942768 3.238518 -0.482395
H -1.532989 3.192229 -0.346089
H -0.959872 2.006536 -1.539729
H -0.994337 0.255439 0.338982
H -1.907897 1.419085 1.340602
H -3.787222 1.499540 -0.297995
H -2.850218 0.532178 -1.479512
H -5.520254 -1.695588 -0.272545
H -5.695308 0.096507 -0.322486
H -4.880397 -0.765866 -1.676328
H -2.690917 -1.878568 -1.283363
H -1.860100 -1.714771 0.304038
H -3.346863 -2.720428 0.168714
H -2.968621 -0.492144 2.143141
H -4.503122 0.402709 1.851188
H -4.511436 -1.397502 1.947572


