%chk=000055445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055445

0 1
 O    3.700900     -0.9088000       2.075000    
 N   -2.482100      0.4506000     -0.1121000    
 C  -6.6100001E-02  0.8298000     -0.5449000    
 C   -1.135600     -0.1292000      1.6200000E-02
 C  -0.1481000       2.199600      0.1464000    
 C   -1.572300       2.742800      7.8800000E-02
 C   -2.582100       1.725600      0.6111000    
 C   -3.492800     -0.4911000      0.3690000    
 C    1.329400      0.2385000     -0.4596000    
 C   -3.408500      -1.802000     -0.4086000    
 C    1.879000     -6.5800004E-02  0.7837000    
 C    2.054800      1.7000000E-03  -1.625100    
 C   -4.464400      -2.792000      5.8400001E-02
 C    3.161100     -0.6098000      0.8619000    
 C    3.336800     -0.5421000      -1.546800    
 C    3.889900     -0.8480000     -0.3034000    
 H  -0.3008000      0.9915000      -1.607800    
 H   -1.028100      -1.041400     -0.5772000    
 H  -0.9275000     -0.3887000       1.062400    
 H   0.5413000       2.908800     -0.3278000    
 H   0.1509000       2.127200       1.199400    
 H   -1.641000       3.670200      0.6586000    
 H   -1.818100       2.997000     -0.9600000    
 H   -2.423400       1.578500       1.687600    
 H   -3.587200       2.146300      0.4847000    
 H   -3.372800     -0.6862000       1.442900    
 H   -4.492000     -6.1000001E-02  0.2254000    
 H   -3.530900      -1.620300      -1.483000    
 H   -2.455600      -2.317100     -0.2611000    
 H    1.323900      0.1129000       1.700700    
 H    1.637800      0.2343000      -2.601000    
 H   -4.339800      -3.028900       1.120100    
 H   -5.471500      -2.388500     -8.7800004E-02
 H   -4.388300      -3.725200     -0.5088000    
 H    3.904300     -0.7276000      -2.454000    
 H    4.889500      -1.271600     -0.2562000    
 H    4.591700      -1.276000       1.941700    


%chk=000055445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055445

0 1
O 3.913489 -0.617935 2.136275
N -2.426558 0.358292 -0.020725
C -0.014058 0.825145 -0.521974
C -1.041920 -0.153494 0.112162
C -0.150947 2.221667 0.143633
C -1.612265 2.714043 0.060500
C -2.577151 1.670831 0.657756
C -3.450251 -0.620830 0.426500
C 1.402185 0.262992 -0.449248
C -3.612216 -1.829623 -0.519479
C 2.045222 0.072232 0.798395
C 2.095799 -0.094792 -1.636174
C -4.771840 -2.750055 -0.079892
C 3.350253 -0.462170 0.853898
C 3.401980 -0.627264 -1.573215
C 4.042603 -0.816653 -0.328869
H -0.295935 0.932478 -1.588346
H -0.967154 -1.131639 -0.393823
H -0.771693 -0.316518 1.190289
H 0.534764 2.940234 -0.343516
H 0.156495 2.155000 1.207206
H -1.727436 3.674570 0.598692
H -1.887110 2.886201 -0.998247
H -2.383016 1.583612 1.761289
H -3.623580 2.007294 0.533840
H -3.240469 -0.990834 1.465602
H -4.419863 -0.086130 0.472011
H -3.789810 -1.448461 -1.543090
H -2.676121 -2.419643 -0.556357
H 1.553903 0.334918 1.740779
H 1.608364 0.046912 -2.607591
H -4.609189 -3.136875 0.944169
H -5.736312 -2.207571 -0.084908
H -4.870382 -3.618529 -0.756051
H 3.928300 -0.897392 -2.495568
H 5.058812 -1.229641 -0.281427
H 4.825407 -0.996372 2.074307


