%chk=000044757.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044757

0 1
 O   -4.732400      0.2776000     -0.8396000    
 N    1.669800      8.4500000E-02 -0.3651000    
 N    1.114500      -1.788900      -1.779200    
 C    3.119000     -8.3499998E-02 -0.5304000    
 C    1.256300       1.200800      0.4496000    
 C    3.677200      -1.047100      0.5161000    
 C    1.145900       2.473800     -0.3886000    
 C    5.195200      -1.304300      0.4261000    
 C   0.6984000       3.730900      0.3849000    
 C   0.7768000     -0.7712000      -1.040600    
 C    5.544200      -1.854400     -0.9597000    
 C    6.018600     -4.5800000E-02  0.7033000    
 C    1.713000       4.154900       1.447700    
 C  -0.6611000       3.475800       1.041800    
 C  -0.6894000     -0.5374000     -0.9283000    
 C   -1.442000      -1.127100      7.9700001E-02
 C   -2.830700     -0.8578000      0.1243000    
 C   -1.241000      0.2965000      -1.882800    
 C   -3.397500     -1.1300000E-02 -0.8424000    
 C   -2.606600      0.5613000      -1.838800    
 C  -0.8751000      -1.973400       1.046400    
 C   -3.611600      -1.442800       1.134400    
 C   -1.666000      -2.546100       2.042900    
 C   -3.031600      -2.281300       2.086900    
 C   -5.143700       1.416400     -8.8699996E-02
 H    3.350900     -0.3966000      -1.552200    
 H    3.609900      0.8906000     -0.4197000    
 H   0.3150000      0.9776000      0.9580000    
 H    1.982900       1.352700       1.256500    
 H    3.443200     -0.6705000       1.520300    
 H    3.155400      -2.009600      0.4333000    
 H    2.114700       2.686500     -0.8591000    
 H   0.4510000       2.320600      -1.219700    
 H    5.453800      -2.059700       1.178400    
 H   0.5910000       4.550200     -0.3367000    
 H    4.906500      -2.706300      -1.218400    
 H    6.582500      -2.204400     -0.9734000    
 H    5.450300      -1.098400      -1.745600    
 H    5.873400      0.7197000     -6.5200001E-02
 H    5.749300      0.3874000       1.672200    
 H    7.086800     -0.2871000      0.7309000    
 H    2.703000       4.298600       1.002600    
 H    1.412100       5.103500       1.905600    
 H    1.803100       3.415900       2.249900    
 H  -0.5969000       2.772100       1.877700    
 H   -1.065600       4.412500       1.441500    
 H   -1.384300       3.089000      0.3162000    
 H  -0.6371000      0.7395000      -2.669500    
 H    2.127300      -1.915500      -1.802400    
 H   -3.050100       1.213500      -2.586400    
 H   0.1871000      -2.205900       1.049500    
 H   -4.682400      -1.263800       1.196900    
 H   -1.215300      -3.198900       2.784800    
 H   -3.646700      -2.728600       2.862200    
 H   -4.733700       2.330500     -0.5297000    
 H   -6.235200       1.472800     -0.1221000    
 H   -4.830500       1.334500      0.9568000    


%chk=000044757-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044757

0 1
O -4.901700 -0.088290 -0.348365
N 1.668435 0.210346 -0.160844
N 1.178534 -1.099288 -2.163161
C 3.129673 0.004978 -0.285698
C 1.223296 1.366018 0.659130
C 3.563580 -1.392422 0.225075
C 1.369505 2.715818 -0.087717
C 5.066018 -1.732969 0.012402
C 0.935477 3.970020 0.723988
C 0.810180 -0.415308 -1.091137
C 5.437701 -1.861781 -1.486043
C 6.005667 -0.736570 0.736081
C 1.828744 4.209337 1.966926
C -0.562469 3.926621 1.116134
C -0.674357 -0.318472 -0.842830
C -1.307357 -0.812095 0.361941
C -2.746801 -0.718779 0.500229
C -1.474071 0.203104 -1.863246
C -3.518359 -0.141202 -0.574946
C -2.890843 0.305717 -1.743284
C -0.569253 -1.430111 1.428130
C -3.383285 -1.216645 1.682198
C -1.213069 -1.916165 2.568465
C -2.631218 -1.803714 2.702601
C -5.742361 0.452450 -1.418063
H 3.461113 0.154119 -1.335357
H 3.626528 0.790072 0.309638
H 0.172500 1.212483 0.947480
H 1.817379 1.372111 1.592402
H 3.330188 -1.447358 1.307524
H 2.945038 -2.163989 -0.273068
H 2.425385 2.842390 -0.405089
H 0.761989 2.658093 -1.013534
H 5.222728 -2.730339 0.475330
H 1.075021 4.838786 0.045670
H 4.763367 -2.567543 -2.006610
H 6.472477 -2.234106 -1.602595
H 5.379856 -0.887301 -2.007179
H 5.959440 0.270786 0.280211
H 5.739810 -0.639160 1.805826
H 7.056675 -1.075308 0.677592
H 2.900710 4.234721 1.693067
H 1.579630 5.173062 2.448830
H 1.688977 3.416714 2.725923
H -0.765733 3.135143 1.861496
H -0.878510 4.888292 1.561741
H -1.202185 3.731311 0.235064
H -0.987908 0.522281 -2.790452
H 2.206601 -1.097171 -2.326230
H -3.465013 0.728106 -2.572527
H 0.516633 -1.521496 1.325641
H -4.470717 -1.133157 1.760317
H -0.628933 -2.391877 3.364422
H -3.126642 -2.186061 3.601867
H -5.646967 -0.148141 -2.343148
H -6.771666 0.387999 -1.035902
H -5.487835 1.508440 -1.633217


