%chk=000009689.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009689

0 1
 O  -0.4320000       3.040200     -0.1397000    
 N   0.1175000      0.8399000     -0.7034000    
 N    1.540900       2.052100      0.5753000    
 C   -1.042800      0.4894000      -1.492900    
 C    1.183500      1.1400000E-02 -0.4341000    
 C   -2.090200     -9.0899996E-02 -0.5983000    
 C    2.058200      0.8632000      0.3940000    
 C   0.3240000       2.076900     -9.7499996E-02
 C    1.340800      -1.248300     -0.8453000    
 C   -3.033300      0.7431000     -1.5000000E-03
 C   -2.120400      -1.464200     -0.3644000    
 C    3.351600      0.4507000      0.9564000    
 C    2.440600      -2.138900     -0.5816000    
 C    3.963100     -0.7306000      0.8313000    
 C   -4.011000      0.2016000      0.8332000    
 C   -3.098200      -2.005700      0.4702000    
 C    3.551300      -1.917300      0.1294000    
 C   -4.043400      -1.172600       1.069000    
 H  -0.7763000     -0.1873000      -2.312100    
 H   -1.428200       1.400500      -1.968100    
 H   0.5972000      -1.704200      -1.491200    
 H   -3.022500       1.815200     -0.1779000    
 H   -1.417200      -2.139300     -0.8379000    
 H    3.852600       1.219000       1.542300    
 H    2.331200      -3.122900      -1.035900    
 H    4.926300     -0.8363000       1.329900    
 H   -4.747600      0.8499000       1.298600    
 H   -3.127900      -3.076500      0.6489000    
 H    4.263100      -2.738800      0.2017000    
 H   -4.805600      -1.594400       1.717600    


%chk=000009689-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009689

0 1
O -0.244711 3.270546 -0.997345
N 0.164857 0.914412 -0.899823
N 1.772327 2.355665 -0.026766
C -1.087442 0.526318 -1.564239
C 1.170827 0.106943 -0.420373
C -2.080625 -0.188985 -0.650760
C 2.174648 1.064074 0.121488
C 0.514327 2.330206 -0.661023
C 1.188599 -1.294369 -0.462144
C -2.429471 0.370538 0.604498
C -2.690495 -1.398997 -1.061271
C 3.421349 0.727688 0.727894
C 2.216998 -2.151398 0.012707
C 3.969149 -0.542596 0.944487
C -3.370780 -0.274296 1.435196
C -3.638142 -2.043346 -0.232412
C 3.439659 -1.829569 0.628554
C -3.978204 -1.483433 1.019701
H -0.859291 -0.097008 -2.449698
H -1.515830 1.482395 -1.923113
H 0.309664 -1.786634 -0.895887
H -1.968691 1.312805 0.923540
H -2.431825 -1.835841 -2.034769
H 4.003272 1.598607 1.053674
H 2.021967 -3.224070 -0.120942
H 4.953647 -0.550026 1.431350
H -3.635510 0.166594 2.402658
H -4.106615 -2.977644 -0.561516
H 4.072131 -2.682247 0.907550
H -4.710493 -1.981432 1.664785


