%chk=000090454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090454

0 1
 O  -8.1400000E-02   1.166300      -2.517500    
 N   -1.242000      0.6104000      0.9933000    
 N    3.726600       1.278800      0.6048000    
 C   -3.628100      0.5610000     -4.0500000E-02
 C   -1.209300       1.161300     -0.3883000    
 C   -2.579800      0.9992000      -1.082300    
 C   -3.239600     -0.8328000      0.5071000    
 C   -3.550600       1.549700       1.137600    
 C   -1.768300     -0.7769000      0.9832000    
 C   -2.164800       1.447400       1.797200    
 C  -7.4400000E-02  0.5672000      -1.225400    
 C   -3.463200      -1.932900     -0.4862000    
 C    1.271600      0.7807000     -0.5795000    
 C    2.102800     -0.2878000     -0.2415000    
 C   -4.298600      -2.958800     -0.2913000    
 C    1.653400       2.085900     -0.3328000    
 C    3.343400      1.1500000E-02  0.3595000    
 C    1.734900      -1.622400     -0.4831000    
 C    2.885300       2.279700      0.2585000    
 C    4.178900      -1.048800      0.6999000    
 C    2.589900      -2.663200     -0.1324000    
 C    3.813400      -2.375600      0.4598000    
 H   -4.632800      0.5590000     -0.4775000    
 H   -1.041200       2.245200     -0.3165000    
 H   -2.542100      0.2835000      -1.910400    
 H   -2.881300       1.960600      -1.517800    
 H   -3.868500      -1.026200       1.388500    
 H   -4.331100       1.327100       1.874600    
 H   -3.723300       2.571800      0.7798000    
 H   -1.706600      -1.182500       2.002200    
 H   -1.121700      -1.431400      0.3911000    
 H   -1.739600       2.450000       1.930900    
 H   -2.256700       1.032100       2.808800    
 H  -0.3102000     -0.4748000      -1.424400    
 H   -2.898800      -1.910200      -1.414700    
 H   0.7290000      0.8948000      -2.981900    
 H   -4.407600      -3.729200      -1.046800    
 H   -4.885200      -3.050200      0.6161000    
 H    1.044400       2.941800     -0.5983000    
 H   0.8051000      -1.923800     -0.9478000    
 H    3.247200       3.279500      0.4749000    
 H    5.142800     -0.8501000       1.164900    
 H    2.304200      -3.693400     -0.3219000    
 H    4.487000      -3.181500      0.7362000    


%chk=000090454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090454

0 1
O -0.257073 1.384488 -2.525556
N -1.211666 0.226548 0.913564
N 3.964859 1.481083 0.295985
C -3.635962 0.605118 0.056232
C -1.184689 1.038903 -0.347193
C -2.599658 1.042119 -1.018135
C -3.441438 -0.910575 0.396741
C -3.394809 1.415809 1.361875
C -1.896322 -1.084299 0.694708
C -1.987648 1.002691 1.934622
C -0.049724 0.580831 -1.298544
C -3.914671 -1.849068 -0.686987
C 1.342414 0.831875 -0.722131
C 2.178611 -0.208155 -0.171668
C -4.830094 -2.837872 -0.523138
C 1.846959 2.139869 -0.740261
C 3.493584 0.172531 0.319873
C 1.801158 -1.589909 -0.086634
C 3.146635 2.417911 -0.220499
C 4.365766 -0.825981 0.861289
C 2.673628 -2.543385 0.442055
C 3.967147 -2.161875 0.920303
H -4.661878 0.774950 -0.316327
H -0.929182 2.071738 -0.041289
H -2.625481 0.365378 -1.891644
H -2.835164 2.049508 -1.402385
H -4.018717 -1.128149 1.318086
H -4.196025 1.208204 2.096000
H -3.426478 2.499155 1.136972
H -1.744511 -1.709576 1.592258
H -1.408548 -1.606213 -0.148343
H -1.395193 1.888323 2.225362
H -2.091805 0.364069 2.830583
H -0.179768 -0.491733 -1.548446
H -3.456728 -1.714060 -1.680794
H 0.504219 1.224731 -3.139470
H -5.123095 -3.495651 -1.349275
H -5.315128 -3.016723 0.445213
H 1.244880 2.949961 -1.163745
H 0.811692 -1.906888 -0.428399
H 3.533574 3.444220 -0.230952
H 5.344571 -0.493286 1.220089
H 2.365210 -3.593316 0.496121
H 4.639649 -2.921301 1.333981


