%chk=000028247.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028247

0 1
 O   0.5567000      -2.920000       1.859400    
 O  -0.3570000      -2.909500     -0.1367000    
 N   -4.226900      6.0100000E-02 -0.4388000    
 N  -0.1282000     -0.1460000      0.9803000    
 N    3.527600       1.046200     -0.6859000    
 N   0.6020000      -2.675200      0.6327000    
 C   -3.757300      -1.104900      0.3011000    
 C   -2.463100     -0.8135000       1.067000    
 C   -1.300400     -0.3411000      0.1949000    
 C    1.119600      0.2272000      0.4114000    
 C   -4.929200      0.9871000      0.4506000    
 C   -5.101300     -0.3465000      -1.540500    
 C    2.046300     -0.7282000     -1.7899999E-02
 C    1.398000       1.592400      0.2915000    
 C    3.254500     -0.2676000     -0.5681000    
 C    2.631400       1.962300     -0.2709000    
 C    1.792800      -2.106600      9.0700001E-02
 C   -5.366500       2.237200     -0.2938000    
 C   -6.350100      -1.040000      -1.022900    
 C   0.4851000       2.574200      0.7147000    
 C    4.181200      -1.213900     -0.9971000    
 C    2.914500       3.320100     -0.3930000    
 C    2.735900      -3.032300     -0.3458000    
 C    3.932500      -2.584600     -0.8909000    
 C   0.7923000       3.925100      0.5816000    
 C    2.009600       4.298300      2.6500000E-02
 H   -4.505900      -1.483300       1.008700    
 H   -3.530800      -1.930300     -0.3874000    
 H   -2.647700     -7.9499997E-02   1.861400    
 H   -2.171100      -1.732900       1.590400    
 H   -1.585000      0.6341000     -0.2222000    
 H   -1.157500     -0.9588000     -0.6931000    
 H  -0.2711000      0.2238000       1.916800    
 H   -5.774800      0.5414000      0.9864000    
 H   -4.233900       1.326000       1.228000    
 H   -5.366300      0.4957000      -2.188400    
 H   -4.556000      -1.033900      -2.200400    
 H   -4.551300       2.658000     -0.8926000    
 H   -6.228600       2.060400     -0.9438000    
 H   -5.669300       3.005200      0.4269000    
 H   -6.140600      -1.919800     -0.4082000    
 H   -7.020700     -0.3727000     -0.4745000    
 H   -6.927100      -1.403100      -1.882200    
 H  -0.4751000       2.327400       1.159200    
 H    5.126500     -0.8883000      -1.427700    
 H    3.861800       3.638000     -0.8248000    
 H    2.557600      -4.102200     -0.2700000    
 H    4.675500      -3.298300      -1.234700    
 H   8.6300001E-02   4.681600      0.9103000    
 H    2.259300       5.349700     -8.1699997E-02


%chk=000028247-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028247

0 1
O 0.281575 -1.591417 2.089591
O -0.573403 -3.169532 0.674783
N -4.424600 -0.294892 -0.409486
N -0.339803 0.898621 0.692628
N 3.590935 1.011996 -0.902002
N 0.233052 -2.184706 0.940984
C -3.666096 -1.090726 0.593695
C -2.490159 -0.307761 1.221071
C -1.480837 0.134075 0.141403
C 0.997349 0.799896 0.390781
C -5.384576 0.648318 0.220322
C -4.986914 -1.113504 -1.516682
C 1.633526 -0.370007 -0.175334
C 1.843359 1.966936 0.593896
C 2.881630 -0.155423 -0.911107
C 3.126308 2.016346 -0.084696
C 1.169912 -1.734900 -0.112074
C -5.938035 1.704675 -0.754348
C -6.121770 -2.104887 -1.138473
C 1.452304 3.088603 1.395969
C 3.416546 -1.226705 -1.714564
C 3.943728 3.189886 0.056445
C 1.720449 -2.763810 -0.882115
C 2.831431 -2.489589 -1.733645
C 2.277292 4.208166 1.529782
C 3.533758 4.262178 0.845795
H -4.322327 -1.468453 1.414793
H -3.252561 -1.984485 0.087992
H -2.867315 0.585795 1.759948
H -1.987280 -0.945903 1.970285
H -2.018415 0.769683 -0.591274
H -1.111178 -0.734497 -0.423028
H -0.622786 1.773516 1.138533
H -6.235815 0.111109 0.710259
H -4.845402 1.170691 1.033167
H -5.349278 -0.426995 -2.304159
H -4.146976 -1.679439 -1.962873
H -5.109580 2.233179 -1.259195
H -6.584626 1.258017 -1.530798
H -6.545539 2.447183 -0.205021
H -5.788047 -2.823314 -0.367774
H -7.015129 -1.579533 -0.754500
H -6.430518 -2.683719 -2.028773
H 0.516245 3.070757 1.969221
H 4.321332 -0.997478 -2.285407
H 4.899810 3.192448 -0.475571
H 1.326833 -3.777440 -0.768104
H 3.256372 -3.292874 -2.343210
H 1.966991 5.042697 2.167401
H 4.172429 5.145719 0.951966


