%chk=000118417.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118417

0 1
 O   -1.214300      -1.589000      0.1266000    
 N   -2.798800      0.7204000      -1.194800    
 N   -3.990100     -0.3236000      0.5955000    
 C    3.252500       2.811500      2.9100001E-02
 C    2.450700       2.104500       1.132100    
 C    4.176300       1.753800     -0.5938000    
 C    2.396000      0.7073000      0.6000000    
 C    3.375700      0.5082000     -0.3798000    
 C    1.561300     -0.3240000      0.9955000    
 C    1.712300      -1.569500      0.3819000    
 C    3.540800     -0.7263000     -0.9845000    
 C   0.8253000      -2.702300      0.7790000    
 C    2.694900      -1.769300     -0.6008000    
 C  -0.4560000      -2.777900     -5.5900000E-02
 C   -3.866300       2.162000      0.4065000    
 C   -3.411700       2.019500      -1.039700    
 C   -4.700700      0.9480000      0.8099000    
 C   -3.132300     -0.3376000     -0.3749000    
 C   -2.415600      -1.615500     -0.6319000    
 H    3.804100       3.679100      0.4043000    
 H    2.558200       3.178600     -0.7397000    
 H    1.457900       2.547600       1.250000    
 H    2.987500       2.123800       2.086000    
 H    5.125600       1.689400     -5.2299999E-02
 H    4.359900       1.958200      -1.652200    
 H   0.8126000     -0.1607000       1.764200    
 H    4.306300     -0.8856000      -1.736200    
 H   0.5615000      -2.594800       1.839300    
 H    1.370500      -3.650800      0.6978000    
 H    2.809900      -2.742400      -1.072100    
 H   -1.047500      -3.642000      0.2684000    
 H  -0.2107000      -2.898100      -1.118100    
 H   -4.446200       3.082300      0.5335000    
 H   -2.989100       2.233100       1.062300    
 H   -4.266600       2.101000      -1.719600    
 H   -2.697300       2.807300      -1.298000    
 H   -4.953000       1.026600       1.873000    
 H   -5.645100      0.9264000      0.2538000    
 H   -2.188100      -1.712100      -1.699300    
 H   -3.039100      -2.460800     -0.3189000    
 H   -2.119700      0.6049000      -1.941400    


%chk=000118417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118417

0 1
O -1.243552 -1.918219 0.550902
N -1.971672 0.514429 -0.199907
N -4.294560 -0.171145 -0.282077
C 2.648648 3.005923 -0.188434
C 2.070119 2.185615 1.007662
C 3.617578 2.022967 -0.919186
C 2.135519 0.747710 0.504263
C 3.024633 0.655470 -0.599783
C 1.481906 -0.398011 0.997368
C 1.701834 -1.660917 0.381641
C 3.261813 -0.591420 -1.210299
C 0.953925 -2.896164 0.864235
C 2.597520 -1.741460 -0.716312
C -0.420067 -3.074250 0.186573
C -3.673389 2.235401 0.260979
C -2.247902 1.957188 -0.273677
C -4.682439 1.262117 -0.401925
C -3.003718 -0.414128 -0.188297
C -2.547483 -1.867033 -0.127803
H 3.146340 3.937434 0.132728
H 1.825373 3.281779 -0.874306
H 1.050622 2.504789 1.293227
H 2.707437 2.304749 1.907890
H 4.643069 2.104188 -0.503515
H 3.692027 2.223935 -2.003216
H 0.794867 -0.330680 1.849519
H 3.950547 -0.677322 -2.059249
H 0.787405 -2.844649 1.956355
H 1.547146 -3.809112 0.664362
H 2.776448 -2.714836 -1.191015
H -0.901913 -4.013170 0.536240
H -0.308862 -3.124476 -0.919554
H -3.952946 3.286989 0.064921
H -3.686405 2.077120 1.355901
H -2.164036 2.315678 -1.321222
H -1.493009 2.505189 0.321698
H -5.681119 1.379549 0.057268
H -4.798285 1.517384 -1.477176
H -2.450196 -2.264138 -1.162109
H -3.308752 -2.460662 0.410521
H -1.032872 0.157388 -0.000389


