%chk=000064248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064248

0 1
 O  -0.5107000       2.629600     -1.3200000E-02
 O    3.355500     -0.5091000      -1.090700    
 N    3.244600     -0.4093000       1.204100    
 C   0.3720000      0.3530000     -1.6500000E-02
 C   -1.238500      -1.128300       1.265200    
 C   -1.264100      -1.135800      -1.256200    
 C   -2.144500      0.8578000      7.6000001E-03
 C   0.1713000     -0.5051000       1.250500    
 C   0.1455000     -0.5125000      -1.274000    
 C   -1.427900      -1.993700      8.8999998E-03
 C   -2.285000      2.2000000E-03   1.271800    
 C   -2.310500     -5.2999998E-03  -1.248400    
 C  -0.7300000       1.421600     -8.2999999E-03
 C    1.764200      0.9807000     -3.2600001E-02
 C    2.858100     -4.6000000E-02 -6.8300001E-02
 H   -1.358900      -1.745800       2.162400    
 H   -1.402500      -1.758500      -2.147100    
 H   -2.868100       1.679200      1.2500000E-02
 H   0.3103000      0.1028000       2.153800    
 H   0.8908000      -1.329600       1.294300    
 H   0.8787000      -1.325200      -1.333000    
 H   0.2636000      9.3999997E-02  -2.181500    
 H  -0.6967000      -2.811400      3.7000000E-03
 H   -2.422500      -2.455900      2.0300001E-02
 H   -2.149300      0.6247000       2.165100    
 H   -3.294400     -0.4234000       1.325000    
 H   -3.320800     -0.4310000      -1.278400    
 H   -2.193100      0.6120000      -2.147800    
 H    1.901900       1.642400      0.8328000    
 H    1.887300       1.622100     -0.9152000    
 H    2.836800     -5.2000000E-03   2.041200    
 H    3.975300      -1.098700       1.346300    


%chk=000064248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064248

0 1
O -0.381223 2.565679 0.289000
O 2.767412 -1.494687 0.245445
N 4.133166 0.329624 0.617890
C 0.320295 0.199219 0.173346
C -1.527453 -1.273901 1.174767
C -1.305928 -1.081842 -1.343724
C -2.154819 0.892814 0.008200
C -0.074697 -0.762725 1.349078
C 0.148083 -0.569565 -1.184733
C -1.652256 -2.038082 -0.170763
C -2.506497 -0.072406 1.184427
C -2.284307 0.120166 -1.342759
C -0.706309 1.351028 0.169835
C 1.739648 0.779372 0.342340
C 2.887903 -0.240152 0.393188
H -1.772460 -1.954734 2.013537
H -1.392373 -1.626035 -2.304715
H -2.805925 1.785292 0.018774
H 0.027046 -0.226294 2.314874
H 0.639269 -1.605605 1.354886
H 0.865225 -1.409462 -1.193740
H 0.407400 0.105759 -2.025878
H -0.967222 -2.908232 -0.176750
H -2.683159 -2.427680 -0.290992
H -2.446150 0.467202 2.149864
H -3.552190 -0.419186 1.064167
H -3.330430 -0.226278 -1.460009
H -2.063262 0.797780 -2.190579
H 1.768575 1.395617 1.262817
H 1.937362 1.489599 -0.485381
H 4.256138 1.333299 0.741585
H 4.947540 -0.283285 0.656303


