%chk=000056614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056614

0 1
 O   0.8629000      -1.094500      0.2159000    
 O   -1.224500      -2.439700      -1.118600    
 N    2.634700       1.142300      8.4200002E-02
 C    3.115500     -0.2383000      7.6600000E-02
 C    2.134500      -1.117700      0.8527000    
 C    3.297600     -0.7229000      -1.362000    
 C  -9.2100002E-02  -1.865200      0.9320000    
 C   -1.420800      -1.877200      0.1771000    
 C   -2.012000     -0.4936000      2.1000000E-02
 C    3.591500       2.020900     -0.5880000    
 C    2.401100       1.595300       1.455100    
 C   -2.867900     -1.0100000E-02  0.9958000    
 C   -1.684400      0.2601000      -1.093200    
 C   -3.413000       1.265800      0.8520000    
 C   -2.229400       1.536000      -1.236700    
 C   -3.093700       2.038800     -0.2641000    
 H    4.089200     -0.3100000      0.5815000    
 H    2.506500      -2.150900      0.8311000    
 H    2.053600     -0.8528000       1.912500    
 H    4.169000     -0.2690000      -1.844700    
 H    2.414400     -0.5196000      -1.978500    
 H    3.465200      -1.806000      -1.380100    
 H  -0.2255000      -1.444500       1.935700    
 H   0.2808000      -2.892500       1.023400    
 H   -2.138400      -2.522700      0.6977000    
 H    3.637700       1.830200      -1.664600    
 H    3.276000       3.067800     -0.5013000    
 H    4.600100       1.941300     -0.1662000    
 H    2.214000       2.676400       1.473200    
 H    1.494300       1.158500       1.885300    
 H    3.253800       1.401000       2.115900    
 H   -3.120200     -0.6043000       1.869200    
 H   -1.004200     -0.1023000      -1.858100    
 H  -0.8611000      -3.333600     -0.9988000    
 H   -4.085300       1.657700       1.609700    
 H   -1.978200       2.139700      -2.104000    
 H   -3.517000       3.032700     -0.3755000    


%chk=000056614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056614

0 1
O 0.937603 -1.185768 0.305229
O -1.140170 -2.443406 -0.971905
N 2.765113 1.069180 -0.206725
C 3.215190 -0.340981 -0.015996
C 2.271528 -1.140547 0.903250
C 3.377518 -1.067669 -1.371714
C -0.067325 -1.843348 1.151025
C -1.385731 -1.833338 0.352004
C -2.061137 -0.464963 0.240616
C 3.741779 1.875479 -0.971635
C 2.370471 1.753578 1.043299
C -3.431407 -0.344108 0.582336
C -1.369611 0.682346 -0.236551
C -4.105509 0.892151 0.458536
C -2.044055 1.917011 -0.360922
C -3.411777 2.028752 -0.014861
H 4.210004 -0.360430 0.514196
H 2.675852 -2.171133 1.013787
H 2.214199 -0.688484 1.915815
H 4.210126 -0.656831 -1.966689
H 2.446175 -0.978122 -1.955263
H 3.587402 -2.139844 -1.205804
H -0.179115 -1.304177 2.116230
H 0.239674 -2.893245 1.348298
H -2.086890 -2.532131 0.843629
H 3.887926 1.456851 -1.980359
H 3.349593 2.900548 -1.092213
H 4.744540 1.946181 -0.475084
H 2.123940 2.804385 0.810503
H 1.462688 1.292151 1.466575
H 3.171392 1.757309 1.827202
H -3.977416 -1.227018 0.938867
H -0.308545 0.606411 -0.498266
H -0.311686 -2.019719 -1.322942
H -5.165835 0.966757 0.725888
H -1.500994 2.794378 -0.731439
H -3.930810 2.988895 -0.115715


