%chk=000036430.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036430

0 1
 O    4.800500       1.571900      0.7723000    
 O    4.801400      -1.736100     -0.4896000    
 N    4.188600      0.4036000      0.2392000    
 C   -1.390900     -2.2900000E-02 -0.7136000    
 C   -2.240200      0.1568000      0.5603000    
 C   9.2500001E-02  9.0599999E-02 -0.4599000    
 C   -3.708900      2.7200000E-02  0.3350000    
 C   0.7047000       1.330600     -0.5511000    
 C   0.8163000      -1.047600     -0.1406000    
 C    2.817200      0.2985000      5.2000000E-03
 C    2.075800       1.435200     -0.3173000    
 C    2.187400     -0.9430000      9.3400002E-02
 C   -4.467200       1.153000      1.3900000E-02
 C   -4.324100      -1.220000      0.4448000    
 C   -5.840700       1.032000     -0.1971000    
 C   -5.697600      -1.341000      0.2337000    
 C   -6.455900     -0.2150000     -8.7300003E-02
 C    5.095000     -0.6328000     -2.9100001E-02
 C    6.546000     -0.3408000      0.2876000    
 H   -1.689100      0.7181000      -1.467600    
 H   -1.606800     -0.9981000      -1.170900    
 H   -2.025700       1.136300       1.009400    
 H   -1.924000     -0.5728000       1.318600    
 H   0.1352000       2.221300     -0.8003000    
 H   0.3309000      -2.015700     -5.5000000E-02
 H    2.549600       2.410400     -0.3945000    
 H    2.702800      -1.846900      0.3997000    
 H   -3.999400       2.129800     -7.6800004E-02
 H   -3.743900      -2.105100      0.6921000    
 H   -6.431100       1.908500     -0.4476000    
 H   -6.176700      -2.312100      0.3185000    
 H   -7.525200     -0.3094000     -0.2520000    
 H    6.894300      0.5142000     -0.2984000    
 H    6.663800     -0.1378000       1.355600    
 H    7.159800      -1.209200      3.0300001E-02
 H    4.630400       1.433200       1.720000    


%chk=000036430-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036430

0 1
O 4.770662 1.639867 0.379980
O 4.965234 -1.926133 -0.044118
N 4.271357 0.278751 0.242572
C -1.455624 -0.036121 -0.725565
C -2.252193 0.101872 0.615305
C 0.047420 0.034160 -0.515085
C -3.755391 0.021537 0.399062
C 0.731409 1.275381 -0.515844
C 0.812949 -1.134727 -0.274626
C 2.863780 0.171774 -0.030643
C 2.118790 1.354778 -0.280638
C 2.200729 -1.086854 -0.032283
C -4.518112 1.190518 0.142788
C -4.422807 -1.231010 0.403038
C -5.907399 1.112373 -0.105025
C -5.811573 -1.315460 0.155920
C -6.559418 -0.142642 -0.100575
C 5.267234 -0.717010 0.175902
C 6.695146 -0.242421 0.397837
H -1.788591 0.766105 -1.411521
H -1.734740 -0.996821 -1.198241
H -1.978743 1.065877 1.085278
H -1.916178 -0.697629 1.302845
H 0.174316 2.198416 -0.719595
H 0.316550 -2.113178 -0.282631
H 2.632015 2.318548 -0.323421
H 2.774275 -2.000041 0.128277
H -4.019588 2.168414 0.144170
H -3.850177 -2.144654 0.608227
H -6.480837 2.026665 -0.296693
H -6.310571 -2.291324 0.167432
H -7.636945 -0.205510 -0.289862
H 6.981583 0.524155 -0.341608
H 6.824470 0.207551 1.398468
H 7.353838 -1.118685 0.306449
H 4.541930 1.908377 1.315322


