%chk=000096374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096374

0 1
 O    2.194000      0.9521000      -1.623200    
 O    3.957100      0.8902000     -0.1882000    
 N  -0.9915000       2.154500      0.4960000    
 N    3.355800      -1.777400      0.2608000    
 C   0.2081000      0.3059000      0.7617000    
 C   -1.081400     -6.4800002E-02  0.2876000    
 C    1.332900     -0.5988000       1.076800    
 C   -1.814100       1.113400      0.1292000    
 C    2.269000     -0.8752000     -0.1253000    
 C   -1.697400      -1.293500     -2.2800000E-02
 C   0.2327000       1.676500      0.8796000    
 C   -3.137500       1.124300     -0.3261000    
 C   -3.020500      -1.297900     -0.4792000    
 C   -3.727500     -0.1063000     -0.6278000    
 C  -0.9966000      -2.609100      0.1123000    
 C    2.916900      0.4060000     -0.6114000    
 H    1.924900     -0.1384000       1.882100    
 H   0.9744000      -1.540200       1.503200    
 H    1.722500      -1.331500     -0.9577000    
 H    1.009200       2.356400       1.202100    
 H   -1.254100       3.130400      0.4835000    
 H   -3.688700       2.051500     -0.4420000    
 H   -3.518600      -2.233000     -0.7246000    
 H   -4.754300     -0.1326000     -0.9836000    
 H  -0.8028000      -2.830500       1.165900    
 H   -1.604600      -3.431800     -0.2813000    
 H  -6.1999999E-02  -2.617800     -0.4520000    
 H    3.910000      -2.016400     -0.5608000    
 H    2.964100      -2.654000      0.6030000    
 H    2.601500       1.778900      -1.958900    


%chk=000096374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096374

0 1
O 3.677471 0.275214 -1.857727
O 3.153785 1.569750 -0.005796
N -1.190056 2.200605 0.620655
N 3.210742 -1.818843 0.010776
C 0.143576 0.351459 0.789985
C -1.179765 -0.072053 0.334156
C 1.380265 -0.482157 1.038929
C -1.990393 1.118831 0.239246
C 2.222484 -0.745855 -0.236940
C -1.770878 -1.332611 -0.002108
C 0.087942 1.736705 0.949151
C -3.341298 1.106953 -0.172004
C -3.120637 -1.333949 -0.416970
C -3.897514 -0.142095 -0.502349
C -1.006536 -2.643029 0.086097
C 3.026373 0.498427 -0.631716
H 2.034845 0.010672 1.778837
H 1.100673 -1.464329 1.462580
H 1.528988 -0.961212 -1.085004
H 0.884062 2.412892 1.253005
H -1.490806 3.171834 0.651566
H -3.932681 2.027326 -0.233614
H -3.589304 -2.289604 -0.681771
H -4.941316 -0.203425 -0.829876
H -0.745672 -2.892889 1.132654
H -1.612299 -3.475724 -0.311040
H -0.062620 -2.610674 -0.490117
H 3.793238 -2.048679 -0.799673
H 2.816337 -2.642359 0.474119
H 4.232492 1.069722 -2.086149


