%chk=000028885.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028885

0 1
 O   -5.990600      -2.070100      0.3282000    
 O   0.4623000      -1.620500      0.4896000    
 N   -3.654100     -0.5559000     -0.2631000    
 N  -0.1689000      0.6530000      0.2261000    
 C   -2.222300     -0.4332000     -0.5285000    
 C   -4.302900      -1.396100      -1.279000    
 C   -3.890700      -1.112300       1.076400    
 C   -1.577400      0.5106000      0.4759000    
 C   -5.793200      -1.518800     -0.9744000    
 C   -5.390600      -1.242800       1.325700    
 C   0.3546000       2.007800      3.7400000E-02
 C   0.7504000     -0.4440000      0.2542000    
 C   0.6923000       2.715900       1.152300    
 C   0.4694000       2.468700      -1.240500    
 C    2.190900     -7.7000000E-02 -8.7499999E-02
 C    1.191500       4.005900      0.9725000    
 C   0.9688000       3.758600      -1.420500    
 C   0.5556000       2.185500       2.542900    
 C   9.1399997E-02   1.669900      -2.445800    
 C    3.130300      -1.259000     -7.0299998E-02
 C    1.329700       4.527300     -0.3139000    
 C    3.780400      -1.592800       1.107200    
 C    3.325600      -1.988200      -1.232300    
 C    4.648600      -2.684500       1.122900    
 C    4.193700      -3.080000      -1.216600    
 C    4.855200      -3.428000     -3.8899999E-02
 H   -2.077500     -2.9600000E-02  -1.537100    
 H   -1.748900      -1.421300     -0.5178000    
 H   -4.179400     -0.9545000      -2.274400    
 H   -3.850500      -2.396300      -1.291800    
 H   -3.414500      -2.096400       1.174100    
 H   -3.512600     -0.4630000       1.870100    
 H   -2.069400       1.491000      0.4600000    
 H   -1.634100      0.1152000       1.494100    
 H   -6.301500     -0.5492000      -1.042600    
 H   -6.266800      -2.192400      -1.695800    
 H   -5.567900      -1.713900       2.297900    
 H   -5.886500     -0.2644000       1.336200    
 H    2.242000      0.3775000      -1.081200    
 H    2.564700      0.6635000      0.6282000    
 H    1.476700       4.619200       1.823200    
 H    1.080100       4.179400      -2.416300    
 H   0.9818000       2.873300       3.281600    
 H    1.084000       1.233800       2.655900    
 H  -0.4999000       2.047700       2.797600    
 H   0.6567000       1.999400      -3.325000    
 H   0.2968000      0.6021000      -2.336600    
 H  -0.9734000       1.805400      -2.660200    
 H    1.717800       5.532000     -0.4538000    
 H    3.624000      -1.021400       2.017700    
 H    2.813100      -1.726400      -2.153600    
 H    5.163100      -2.955900       2.040100    
 H    4.354100      -3.659400      -2.121000    
 H    5.530900      -4.278200     -2.6600000E-02


%chk=000028885-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028885

0 1
O -6.305786 -1.944974 -0.033091
O 0.021485 -2.020555 -0.817502
N -3.780585 -0.524150 -0.196134
N -0.051947 0.234359 -0.266076
C -2.532531 0.024668 -0.771878
C -5.022888 0.053145 -0.768013
C -3.833021 -2.010444 -0.253602
C -1.412887 0.024631 0.300589
C -6.239825 -0.475012 0.011856
C -5.061961 -2.515969 0.516441
C 0.539420 1.559101 -0.183975
C 0.599667 -0.885424 -0.782223
C 1.062846 1.999059 1.068894
C 0.560649 2.400171 -1.335800
C 2.055138 -0.731705 -1.250838
C 1.603565 3.305570 1.150930
C 1.115343 3.698671 -1.210686
C 1.070713 1.087142 2.281737
C 0.033422 1.928246 -2.679393
C 3.046079 -1.162051 -0.166382
C 1.630626 4.152480 0.021866
C 4.034495 -0.262711 0.306555
C 2.994820 -2.473678 0.374748
C 4.960287 -0.665542 1.297030
C 3.917076 -2.874775 1.366277
C 4.904813 -1.973485 1.830322
H -2.724768 1.061678 -1.106319
H -2.188514 -0.562141 -1.655458
H -4.983055 1.155846 -0.682856
H -5.144570 -0.208335 -1.849547
H -3.890575 -2.365237 -1.312882
H -2.910806 -2.431953 0.184818
H -1.614802 0.818939 1.037744
H -1.417811 -0.950081 0.818160
H -6.174188 -0.135011 1.068304
H -7.184735 -0.123665 -0.435156
H -5.173406 -3.608466 0.418766
H -4.968100 -2.242362 1.589545
H 2.156545 -1.393566 -2.130064
H 2.276500 0.300733 -1.564777
H 2.011031 3.653801 2.107114
H 1.135934 4.355607 -2.088161
H 1.571307 1.574859 3.134985
H 1.603295 0.143164 2.066306
H 0.048613 0.813427 2.602205
H 0.734198 1.222319 -3.166442
H -0.928347 1.397896 -2.582025
H -0.104631 2.780846 -3.365689
H 2.051024 5.161091 0.102419
H 4.078561 0.755378 -0.099714
H 2.223275 -3.166011 0.018919
H 5.721388 0.039909 1.649710
H 3.867899 -3.890645 1.774832
H 5.622627 -2.287588 2.596512


