%chk=000056464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056464

0 1
 O   -3.879300       1.810200     -6.4700000E-02
 O   -1.105500      -2.366700       1.266900    
 O    2.730100      -2.161600      -1.254900    
 N   0.7877000      -2.227200     -2.2700001E-02
 C   -1.261000      0.4317000      6.4199999E-02
 C  -0.1735000     -0.1790000      0.9519000    
 C   -2.628800     -0.1907000      0.4044000    
 C    1.165400      0.4524000      0.6667000    
 C   -3.832200      0.4086000     -0.3386000    
 C  -0.2071000      -1.683100      0.7732000    
 C    2.151600     -0.2146000     -6.6200003E-02
 C  -0.8985000      0.2231000      -1.385300    
 C    1.426900       1.758300       1.113400    
 C    1.926200      -1.602000     -0.5152000    
 C   -5.165400     -0.1832000      9.5600002E-02
 C    3.370100      0.4125000     -0.3584000    
 C    2.641600       2.382500      0.8277000    
 C    3.611100       1.710300      8.9400001E-02
 C  -0.6594000       1.218200      -2.247300    
 H   -1.320500       1.508800      0.2718000    
 H  -0.4044000      1.2000001E-03   2.011600    
 H   -2.661700      -1.253900      0.1510000    
 H   -2.798500     -9.1499999E-02   1.484600    
 H   -3.713100      0.2807000      -1.419900    
 H  -0.8753000     -0.7928000      -1.771700    
 H   0.6779000       2.301100       1.685300    
 H   0.6959000      -3.216200     -0.2377000    
 H   -5.346900     -1.6000000E-03   1.160600    
 H   -5.197000      -1.261600     -8.6599998E-02
 H   -5.991800      0.2857000     -0.4494000    
 H    4.145200     -9.6600004E-02 -0.9250000    
 H    2.828400       3.393200       1.178400    
 H    4.556700       2.195200     -0.1347000    
 H  -0.4263000       1.002500      -3.284200    
 H  -0.6897000       2.256800      -1.937400    
 H   -4.611200       2.186400     -0.5828000    


%chk=000056464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056464

0 1
O -3.591409 2.016152 0.145050
O -0.920298 -2.691929 0.994994
O 3.129682 -2.122898 -1.165233
N 1.073666 -2.311115 -0.109885
C -1.308334 0.242140 -0.074876
C -0.156118 -0.362394 0.853186
C -2.712898 -0.203322 0.413352
C 1.141806 0.406779 0.666821
C -3.838180 0.604612 -0.250603
C -0.041812 -1.865960 0.618565
C 2.246891 -0.154590 -0.027020
C -1.084187 -0.101628 -1.536309
C 1.249250 1.735035 1.146805
C 2.212430 -1.564082 -0.500491
C -5.235504 0.145185 0.197601
C 3.425268 0.602403 -0.249876
C 2.424066 2.486396 0.934265
C 3.515728 1.922333 0.227025
C -0.714584 0.782891 -2.494888
H -1.251112 1.339537 0.046758
H -0.520013 -0.237529 1.891340
H -2.866835 -1.281115 0.224981
H -2.787532 -0.052953 1.508552
H -3.751123 0.519572 -1.355838
H -1.254220 -1.155393 -1.812899
H 0.408470 2.181214 1.691263
H 1.093660 -3.311625 -0.343531
H -5.342591 0.249847 1.292378
H -5.404893 -0.914215 -0.069701
H -6.030886 0.743851 -0.286820
H 4.250128 0.127407 -0.791040
H 2.491744 3.510214 1.318459
H 4.425179 2.508849 0.060054
H -0.567122 0.474463 -3.536160
H -0.543900 1.841252 -2.261800
H -4.296714 2.587715 -0.250479


