%chk=000057556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057556

0 1
 O   0.5024000      -1.636600      0.7185000    
 N   -3.048400      0.2325000     -0.5192000    
 N    1.853000      0.1103000      9.6000005E-03
 C   -4.285100     -0.5074000     -0.3125000    
 C   -3.905500      0.6316000      0.5880000    
 C   -1.905400     -0.5308000     -3.3700000E-02
 C  -0.6088000      0.2385000     -0.2808000    
 C   0.6203000     -0.5241000      0.1981000    
 C    2.042600       1.424500     -0.6005000    
 C    3.075700     -0.5519000      0.4474000    
 C    1.996800       2.528800      0.4352000    
 C    3.662400      -1.415400     -0.6501000    
 H   -4.230700      -1.514500      8.0499999E-02
 H   -5.061900     -0.3357000      -1.045700    
 H   -4.426800       1.571600      0.4585000    
 H   -3.613300      0.4112000       1.606100    
 H   -1.966100     -0.8089000       1.027800    
 H   -1.849500      -1.477800     -0.5887000    
 H  -0.5059000      0.4201000      -1.356700    
 H  -0.6511000       1.201000      0.2388000    
 H    3.001200       1.440200      -1.131200    
 H    1.269400       1.604300      -1.351500    
 H    3.801300      0.1989000      0.7789000    
 H    2.850100      -1.184100       1.313600    
 H    2.796700       2.411300       1.173600    
 H    2.122400       3.504400     -4.4799998E-02
 H    1.047900       2.538100      0.9794000    
 H    3.921300     -0.8185000      -1.530500    
 H    4.571100      -1.913500     -0.2981000    
 H    2.952900      -2.186300     -0.9687000    


%chk=000057556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057556

0 1
O 0.618051 -1.824513 0.524256
N -3.082423 -0.049870 -0.636639
N 1.834983 0.083497 -0.000130
C -4.405173 -0.443578 -0.032503
C -3.769615 0.892911 0.323904
C -1.890281 -0.762848 -0.093874
C -0.637603 0.078944 -0.385480
C 0.641904 -0.628448 0.082140
C 1.948689 1.467598 -0.508209
C 3.084678 -0.586496 0.437633
C 1.920457 2.534223 0.610934
C 3.784515 -1.340645 -0.713235
H -4.408495 -1.218534 0.747048
H -5.248152 -0.484195 -0.729199
H -4.151392 1.820245 -0.114690
H -3.353358 0.991649 1.337205
H -1.962749 -0.971010 0.999541
H -1.810184 -1.737764 -0.604105
H -0.593082 0.262391 -1.477538
H -0.733324 1.073002 0.093657
H 2.899458 1.545004 -1.070129
H 1.141232 1.662094 -1.233991
H 3.755846 0.182763 0.864411
H 2.817768 -1.298902 1.236261
H 2.731307 2.364915 1.342225
H 2.050011 3.546029 0.184174
H 0.960970 2.509683 1.157508
H 4.032417 -0.663118 -1.551416
H 4.724416 -1.800975 -0.356538
H 3.128129 -2.142252 -1.091922


