%chk=000063398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063398

0 1
 O  -0.4004000       1.927000     -0.5717000    
 N  -0.8465000     -0.3612000     -0.5658000    
 N   0.8728000      -1.934000     -9.2500001E-02
 C   -2.249300     -0.1707000     -0.9005000    
 C   -3.128800     -2.9300001E-02  0.3374000    
 C   -4.609200      0.1439000     -9.7000003E-03
 C  -3.0800000E-02  0.7653000     -0.4302000    
 C    1.380200      0.4706000     -8.9699998E-02
 C    1.772000     -0.8660000      6.4700000E-02
 C  -0.3500000      -1.639900     -0.3898000    
 C   -5.467700      0.2218000       1.243100    
 C    2.300800       1.511100      7.3799998E-02
 C    3.105000      -1.144800      0.3863000    
 C    3.625000       1.215800      0.3942000    
 C    4.027000     -0.1095000      0.5504000    
 H   -2.352900      0.7196000      -1.531700    
 H   -2.586500      -1.031500      -1.490500    
 H   -2.790200      0.8276000      0.9334000    
 H   -3.004800     -0.9152000      0.9732000    
 H   -4.947600     -0.6981000     -0.6247000    
 H   -4.746900       1.055700     -0.6021000    
 H   -1.096100      -2.439000     -0.5209000    
 H   -5.173100       1.070800       1.868100    
 H   -6.521000      0.3476000      0.9732000    
 H   -5.376600     -0.6920000       1.838900    
 H    2.006800       2.550300     -4.3699998E-02
 H    3.434500      -2.173500      0.5115000    
 H    4.344300       2.019500      0.5224000    
 H    5.059100     -0.3376000      0.8000000    


%chk=000063398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063398

0 1
O -0.547145 1.901302 -0.538906
N -0.834386 -0.427599 -0.615803
N 0.956092 -1.992198 -0.175115
C -2.277317 -0.245130 -0.923356
C -3.134150 -0.064550 0.348604
C -4.625771 0.153103 0.007778
C -0.036189 0.746788 -0.420211
C 1.372285 0.460891 -0.085604
C 1.821859 -0.896873 0.031495
C -0.296801 -1.707681 -0.479938
C -5.497710 0.333498 1.268541
C 2.280324 1.531469 0.126324
C 3.181235 -1.153325 0.362646
C 3.619674 1.262399 0.451391
C 4.068229 -0.084485 0.569903
H -2.362943 0.652299 -1.560128
H -2.615618 -1.124399 -1.502877
H -2.751499 0.805538 0.914402
H -3.024760 -0.954663 1.000551
H -5.002215 -0.707688 -0.582667
H -4.724244 1.046748 -0.640893
H -0.998972 -2.531607 -0.650722
H -5.162060 1.205469 1.860175
H -6.558734 0.493305 1.003716
H -5.442833 -0.557224 1.922294
H 1.904937 2.555464 0.029437
H 3.502014 -2.195940 0.446775
H 4.321509 2.086990 0.614758
H 5.114289 -0.287602 0.824530


