%chk=000023157.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023157

0 1
 O    5.149600      -1.304400     -0.7726000    
 O    4.217600      0.6714000     -0.9888000    
 N   -1.600400     -0.4323000       1.394200    
 N   -3.748400      -1.287600      -1.257800    
 N    1.927500       1.084900     -0.2847000    
 N    4.174500     -0.5303000     -0.6393000    
 C  -0.4040000      8.2199998E-02  0.8253000    
 C   -3.985300     -0.8391000       1.168000    
 C   -2.865100      0.1992000       1.219300    
 C   0.7030000     -0.7568000      0.6627000    
 C   -3.828700      -1.892000      6.6399999E-02
 C  -0.3441000       1.423200      0.4326000    
 C    1.864500     -0.2058000      9.5299996E-02
 C   0.8584000       1.888900     -0.1254000    
 C   0.6711000      -2.108000       1.049200    
 C    2.970000      -1.036200     -6.9200002E-02
 C   -1.441200       2.288900      0.5848000    
 C   0.9246000       3.223200     -0.5176000    
 C    1.790000      -2.916800      0.8743000    
 C    2.941700      -2.379400      0.3139000    
 C   -4.986200     -0.5729000      -1.574400    
 C   -3.476500      -2.305800      -2.274000    
 C   -1.349300       3.618800      0.1848000    
 C  -0.1636000       4.086600     -0.3673000    
 H   -4.956600     -0.3351000       1.102400    
 H   -4.005700      -1.375200       2.127200    
 H   -3.110300      0.8174000       2.090800    
 H   -2.990300      0.6922000      0.2518000    
 H   -4.666600      -2.599300      0.1281000    
 H   -2.920100      -2.474500      0.2644000    
 H   -1.548900      -1.255200       1.979900    
 H  -0.2072000      -2.578900       1.479100    
 H   -2.315400       2.197500       1.195200    
 H    1.843600       3.614200     -0.9506000    
 H    1.761500      -3.960900       1.170900    
 H    3.797000      -3.039000      0.1907000    
 H   -5.871900      -1.211600      -1.478900    
 H   -5.121100      0.3156000     -0.9504000    
 H   -4.954500     -0.1979000      -2.604600    
 H   -4.271200      -3.058700      -2.328300    
 H   -3.368400      -1.845000      -3.262200    
 H   -2.530000      -2.816400      -2.063200    
 H   -2.176900       4.303000      0.3490000    
 H  -7.6800004E-02   5.125600     -0.6714000    


%chk=000023157-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023157

0 1
O 4.643121 -1.556340 -1.550609
O 4.617556 0.391925 -0.359525
N -1.667524 -0.229878 1.683156
N -3.826390 -1.150617 -1.222950
N 1.808281 0.974039 -0.529701
N 4.104366 -0.733987 -0.703763
C -0.537535 0.202417 1.002538
C -3.946909 -1.146054 1.290359
C -3.080428 0.126809 1.418263
C 0.570486 -0.715548 0.818152
C -3.627165 -1.950303 0.007201
C -0.410952 1.536250 0.473368
C 1.736982 -0.240018 0.077873
C 0.761831 1.841057 -0.337778
C 0.547596 -2.071504 1.281966
C 2.841830 -1.166201 -0.062574
C -1.343790 2.598697 0.739810
C 0.872763 3.139231 -0.945779
C 1.622308 -2.938315 1.073036
C 2.786836 -2.480917 0.390735
C -5.248858 -0.947515 -1.565015
C -3.048792 -1.659697 -2.372984
C -1.184773 3.859368 0.167620
C -0.081346 4.124562 -0.709341
H -5.010905 -0.841787 1.298907
H -3.810514 -1.801775 2.176283
H -3.481515 0.775147 2.223427
H -3.137988 0.667411 0.458762
H -4.237699 -2.889693 0.002168
H -2.564960 -2.260722 0.034153
H -1.556171 -1.080458 2.237886
H -0.330875 -2.470143 1.804024
H -2.170483 2.434432 1.434682
H 1.754852 3.317318 -1.567870
H 1.576196 -3.971566 1.429853
H 3.639766 -3.143871 0.219582
H -5.780510 -1.902512 -1.808376
H -5.784893 -0.463022 -0.730382
H -5.325043 -0.280554 -2.441858
H -3.369054 -2.676878 -2.712076
H -3.157572 -0.967977 -3.227233
H -1.977455 -1.705168 -2.109275
H -1.898350 4.657416 0.399180
H 0.023578 5.114644 -1.166298


