%chk=000097184.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097184

0 1
 O   -2.086900      0.2724000     -0.8856000    
 O   -3.428300      -2.373000     -2.9300001E-02
 O   -3.955200       2.326600     -0.5613000    
 N   0.1390000      0.1356000     -7.6800004E-02
 N    1.540300       1.836200      0.2831000    
 N    1.743100      -1.667600     -0.3580000    
 N    4.035800     -0.8618000     -0.1338000    
 C   -1.118700     -0.5815000     -0.2519000    
 C   -3.208300      -1.147500      0.6655000    
 C   -1.747300      -1.069300       1.045500    
 C   -3.380700      2.3200000E-02 -0.2966000    
 C   -3.833100       1.296900      0.4041000    
 C    1.400700     -0.3903000     -0.1328000    
 C   0.2782000       1.477100      0.1750000    
 C    2.252800      0.6789000      9.3000002E-02
 C    3.617400      0.4076000      8.7700002E-02
 C    3.086700      -1.806600     -0.3399000    
 C    4.664400       1.442900      0.3122000    
 H  -0.9230000      -1.412900     -0.9395000    
 H   -3.885400      -1.125300       1.523300    
 H   -1.607200     -0.3350000       1.847600    
 H   -1.318200      -2.023000       1.368100    
 H   -4.064500     -0.2137000      -1.119600    
 H   -3.100800       1.624400       1.149100    
 H   -4.803500       1.153200      0.8893000    
 H  -0.5693000       2.141600      0.2743000    
 H   -2.944400      -2.349900     -0.8717000    
 H   -4.245500       3.127100     -9.1700003E-02
 H    3.457400      -2.811100     -0.5137000    
 H    4.524700       1.915300       1.289500    
 H    5.667100       1.004700      0.2844000    
 H    4.605300       2.212800     -0.4633000    


%chk=000097184-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097184

0 1
O -2.353683 -0.045435 -1.227852
O -4.072904 -2.260273 -0.041031
O -2.999297 2.502260 -0.020294
N -0.062801 0.035489 -0.506829
N 1.242188 1.929261 -0.435712
N 1.632094 -1.647843 0.158683
N 3.826449 -0.621406 0.584750
C -1.227887 -0.855324 -0.761416
C -3.223572 -1.260496 0.615115
C -1.711174 -1.607035 0.514971
C -3.318507 0.109815 -0.095419
C -2.993052 1.297845 0.818119
C 1.211483 -0.386168 -0.122667
C 0.018942 1.429209 -0.697061
C 2.013664 0.802231 -0.077447
C 3.373579 0.643791 0.296341
C 2.955916 -1.679283 0.502212
C 4.337485 1.795578 0.385204
H -0.951444 -1.536295 -1.584038
H -3.588598 -1.240459 1.654020
H -1.157947 -1.254213 1.400776
H -1.564484 -2.694440 0.436480
H -4.299003 0.266471 -0.572752
H -2.008440 1.163996 1.314115
H -3.779332 1.349994 1.601864
H -0.854970 2.002601 -1.002985
H -3.864261 -2.265168 -1.011655
H -2.885536 3.304603 0.548678
H 3.369943 -2.662863 0.742714
H 3.967503 2.562747 1.089773
H 5.322466 1.432757 0.715143
H 4.437780 2.296054 -0.595599


