%chk=000130551.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130551

0 1
 O  -0.5688000     -0.3310000     -0.3095000    
 O  -0.4871000     -0.1288000       2.010700    
 O    4.503400       3.424800      -1.123300    
 O    1.927700      -4.300400      0.1973000    
 N    1.323800      -2.131300     -0.3956000    
 C    1.080100      -1.622600      0.9306000    
 C    2.364000      -1.056300       1.555300    
 C    2.937400      0.1449000      0.8380000    
 C  -6.0400002E-02 -0.6118000      0.9664000    
 C   -2.931600      0.1597000     -0.2084000    
 C   -1.593700      0.5718000     -0.3196000    
 C    3.855200     -5.0099999E-02 -0.1802000    
 C    2.532500       1.414600       1.213400    
 C   -3.959000       1.133000     -0.2246000    
 C    1.728500      -3.432900     -0.6490000    
 C   -1.273100       1.923900     -0.4452000    
 C    4.383800       1.057800     -0.8426000    
 C    3.061100       2.522400      0.5509000    
 C   -3.272600      -1.196700     -8.1400000E-02
 C   -3.618100       2.489500     -0.3513000    
 C   -5.297000      0.7211000     -0.1133000    
 C    3.986800       2.344000     -0.4770000    
 C   -2.283400       2.881000     -0.4608000    
 C   -4.607400      -1.587900      2.7799999E-02
 C   -5.617700     -0.6309000      1.1800000E-02
 C    1.885800      -3.707900      -2.120500    
 H   0.7424000      -2.470300       1.540600    
 H    3.130800      -1.841600       1.602100    
 H    2.171100     -0.7809000       2.601200    
 H    1.195800      -1.496400      -1.178700    
 H    4.172400      -1.047100     -0.4717000    
 H    1.816500       1.567100       2.015300    
 H  -0.2366000       2.238000     -0.5334000    
 H   -2.510400      -1.972500     -6.9200002E-02
 H    5.104400      0.9053000      -1.641700    
 H    2.748200       3.521800      0.8406000    
 H   -4.391400       3.254800     -0.3660000    
 H   -6.103000       1.451900     -0.1234000    
 H   -2.033300       3.933400     -0.5588000    
 H   -4.857900      -2.640400      0.1243000    
 H   -6.656500     -0.9362000      9.6699998E-02
 H    2.372700      -4.676300      -2.264800    
 H   0.9012000      -3.725300      -2.595800    
 H    2.501900      -2.932900      -2.585400    
 H    5.126500       3.117000      -1.803700    


%chk=000130551-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130551

0 1
O -0.515030 -0.397465 -0.051344
O -0.337012 -0.272299 2.286345
O 4.099697 3.611770 -1.242310
O 2.349201 -4.213870 0.325409
N 1.267250 -2.271197 -0.331462
C 1.159310 -1.776379 1.043619
C 2.498980 -1.152798 1.591570
C 2.951756 0.089028 0.845258
C 0.030989 -0.760922 1.205225
C -2.898429 0.209597 -0.174309
C -1.529314 0.622688 -0.108885
C 3.742246 -0.010199 -0.327656
C 2.575674 1.386382 1.289226
C -3.901619 1.248973 -0.302354
C 1.860977 -3.491792 -0.600269
C -1.137573 1.955458 -0.167078
C 4.138894 1.139708 -1.045718
C 2.963067 2.544764 0.585962
C -3.306618 -1.162736 -0.120276
C -3.490738 2.622094 -0.359157
C -5.282509 0.866472 -0.366532
C 3.743446 2.419129 -0.586589
C -2.139255 2.967557 -0.294302
C -4.660556 -1.498367 -0.185421
C -5.656531 -0.477431 -0.308513
C 1.881236 -3.911821 -2.066362
H 0.937075 -2.640620 1.700130
H 3.250342 -1.959510 1.528702
H 2.331544 -0.928255 2.660225
H 0.868041 -1.694470 -1.073900
H 4.062657 -0.998330 -0.677604
H 1.977126 1.490371 2.202271
H -0.075210 2.214619 -0.117041
H -2.544354 -1.942965 -0.031053
H 4.757462 1.039953 -1.947534
H 2.687161 3.544751 0.934180
H -4.256811 3.400155 -0.454631
H -6.042873 1.650762 -0.460736
H -1.832585 4.017533 -0.339455
H -4.967134 -2.549000 -0.141294
H -6.714428 -0.757332 -0.356803
H 2.923187 -4.104620 -2.374724
H 1.330003 -4.861988 -2.174909
H 1.438204 -3.162467 -2.744579
H 4.658053 3.424369 -2.037220


