%chk=000053210.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053210

0 1
 O   0.9451000      -1.764800      0.2560000    
 O   -1.197200       2.577900     -0.1647000    
 O   -4.881100     -0.4816000     -0.2310000    
 O   -3.922900       2.115200     -0.3274000    
 O  -0.7010000      -3.373900      0.2404000    
 N    5.073200      0.2837000      0.3398000    
 N    4.240800       2.083100      -1.016500    
 N    4.790700       2.430000       1.168100    
 C    3.309900      -2.093900      0.4429000    
 C    3.583100      -1.272700     -0.8176000    
 C    1.944800      -2.765800      0.3887000    
 C    4.962400     -0.6237000     -0.8034000    
 C   -1.284500      -1.069500      5.4499999E-02
 C  -0.3413000      -2.207800      0.1932000    
 C   -2.656800      -1.306500     -2.6200000E-02
 C  -0.7985000      0.2370000      7.4000000E-03
 C   -1.684700       1.306700     -0.1201000    
 C   -3.543000     -0.2369000     -0.1538000    
 C   -3.057000       1.069600     -0.2007000    
 C    4.716400       1.514900      0.1444000    
 C   0.2180000       2.732800     -7.6099999E-02
 C   -5.294700      -1.845400     -0.1755000    
 C   -4.421800       2.691700      0.8773000    
 H    3.341700      -1.436500       1.319700    
 H    4.085700      -2.857300      0.5712000    
 H    3.513400      -1.925500      -1.696200    
 H    2.816000     -0.4984000     -0.9358000    
 H    1.896000      -3.453600     -0.4637000    
 H    1.778800      -3.330600       1.313200    
 H    5.186900     -0.1455000      -1.762700    
 H    5.727300      -1.401000     -0.6866000    
 H   -2.983700      -2.339700      1.5500000E-02
 H   0.2710000      0.3926000      7.2300002E-02
 H   -4.981800       1.950500       1.456400    
 H   -3.602200       3.096700       1.479200    
 H   -5.097100       3.509600      0.6116000    
 H   0.4270000       3.806500     -0.1282000    
 H   0.7305000       2.270600     -0.9268000    
 H   0.6046000       2.383200      0.8874000    
 H   -6.387100      -1.853200     -0.2507000    
 H   -5.040300      -2.306000      0.7852000    
 H   -4.914700      -2.418200      -1.028300    
 H    4.085100       1.555000      -1.866700    
 H    3.993000       3.066400      -1.047100    
 H    5.122800       2.160900       2.087800    
 H    4.514500       3.396800       1.036400    


%chk=000053210-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053210

0 1
O 1.102870 -1.848203 0.427690
O -1.034124 2.738202 0.235520
O -4.767532 -0.229054 -0.223581
O -3.650182 2.359723 -0.134369
O -0.626331 -3.407789 0.279091
N 4.934106 0.396042 0.180844
N 3.808743 1.945902 -1.344046
N 4.516646 2.625469 0.784816
C 3.479389 -2.283817 0.445106
C 3.748481 -1.554649 -0.889966
C 2.104261 -2.951340 0.496986
C 5.021492 -0.666422 -0.841025
C -1.123102 -1.013789 0.226011
C -0.240957 -2.209833 0.311721
C -2.513007 -1.224363 0.077370
C -0.592006 0.296813 0.275236
C -1.459770 1.405915 0.183674
C -3.380014 -0.116920 -0.028852
C -2.869479 1.216801 0.034730
C 4.435552 1.568299 -0.135643
C 0.405372 2.967300 0.392069
C -5.317848 -1.580973 -0.364020
C -4.841746 2.528716 0.725792
H 3.571175 -1.559076 1.274603
H 4.249493 -3.064436 0.610853
H 3.858045 -2.297152 -1.707716
H 2.868098 -0.927787 -1.133497
H 1.927082 -3.639164 -0.351383
H 1.941100 -3.509033 1.437504
H 5.217766 -0.270633 -1.868221
H 5.887845 -1.304009 -0.578349
H -2.874726 -2.255118 0.033527
H 0.485453 0.420433 0.394871
H -5.583839 1.737432 0.533234
H -4.545626 2.524491 1.792099
H -5.241495 3.516889 0.452752
H 0.512562 4.062619 0.403701
H 0.984076 2.539106 -0.449625
H 0.779191 2.541730 1.344596
H -6.394933 -1.434721 -0.532513
H -5.159140 -2.178265 0.554242
H -4.870294 -2.105248 -1.229616
H 3.637001 1.230133 -2.046222
H 3.909914 2.904429 -1.676284
H 5.015574 2.408536 1.646008
H 3.772163 3.320215 0.823083


