%chk=000041177.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041177

0 1
 O  -0.9678000       1.235100       0.000000    
 N  -0.5532000     -0.9869000     -0.1660000    
 N    4.738800     -0.4063000       2.105700    
 C    4.403300     -0.2058000     -0.3784000    
 C    2.978700      0.2305000     -0.2747000    
 C    4.817300      -1.097800      0.8223000    
 C    1.962300     -0.7358000     -0.2833000    
 C    4.691900     -0.9098000      -1.722200    
 C   0.6344000     -0.2962000     -0.1844000    
 C    2.682500       1.595200     -0.1708000    
 C   0.3845000       1.064400     -8.3300002E-02
 C    1.363300       2.050500     -7.1500003E-02
 C   -1.454900     -3.5999998E-02 -5.6699999E-02
 C   -2.886000     -0.1445000      1.0700000E-02
 C   -3.673700       1.004500      0.1258000    
 C   -3.499300      -1.399700     -3.7300002E-02
 C   -5.063000      0.8991000      0.1921000    
 C   -4.888500      -1.505000      2.8700000E-02
 C   -5.670500     -0.3556000      0.1434000    
 H    5.053000      0.6810000     -0.3599000    
 H    4.211400      -2.009400      0.8721000    
 H    5.854500      -1.424500      0.6825000    
 H    2.177800      -1.795700     -0.3655000    
 H    5.760900      -1.129700      -1.815200    
 H    4.403400     -0.2732000      -2.566100    
 H    4.148400      -1.856300      -1.811700    
 H    3.483000       2.332100     -0.1652000    
 H    1.123500       3.103300      9.6000005E-03
 H    5.272100      0.4611000       2.058800    
 H    3.775100     -0.1333000       2.293500    
 H   -3.239200       2.000200      0.1668000    
 H   -2.910900      -2.309900     -0.1263000    
 H   -5.672300       1.793700      0.2815000    
 H   -5.361800      -2.481800     -8.9999996E-03
 H   -6.752200     -0.4376000      0.1949000    


%chk=000041177-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041177

0 1
O -0.994704 1.375464 0.050739
N -0.606289 -0.896300 -0.250333
N 4.845314 -0.308167 2.114205
C 4.471170 -0.234288 -0.445252
C 3.020663 0.237405 -0.338185
C 4.901155 -1.034828 0.838379
C 1.951268 -0.693665 -0.384032
C 4.732903 -1.081349 -1.715598
C 0.635743 -0.210997 -0.244026
C 2.739359 1.625369 -0.144907
C 0.399711 1.182004 -0.058990
C 1.423720 2.131077 -0.004366
C -1.533374 0.041341 -0.077915
C -2.983551 -0.102854 -0.001567
C -3.825955 1.027332 0.182558
C -3.556423 -1.400274 -0.112934
C -5.223618 0.857533 0.253855
C -4.953616 -1.560199 -0.040065
C -5.792225 -0.433583 0.143344
H 5.118113 0.666329 -0.492158
H 4.262151 -1.935730 0.921343
H 5.937501 -1.395126 0.688632
H 2.128152 -1.764035 -0.526664
H 5.803105 -1.351443 -1.788743
H 4.452343 -0.530731 -2.631019
H 4.153085 -2.023068 -1.699414
H 3.579729 2.328465 -0.114302
H 1.226167 3.196644 0.137674
H 5.523244 0.454647 2.201683
H 3.903602 -0.018992 2.395792
H -3.379119 2.022488 0.267694
H -2.891993 -2.258653 -0.254134
H -5.870353 1.730169 0.395545
H -5.391292 -2.560643 -0.125623
H -6.878888 -0.561440 0.199686


