%chk=000110882.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110882

0 1
 O  -0.3687000       1.831400       1.831400    
 N   0.7920000      0.3727000      0.4453000    
 N   -4.314900     -0.3928000     -0.3284000    
 C    2.096900      0.9553000      0.6158000    
 C    2.392500       2.035500     -0.4430000    
 C    3.052400       1.319900      -1.634200    
 C    3.189300     -3.0999999E-02  0.3288000    
 C    3.733000      0.1798000     -0.9449000    
 C    3.645800      -1.060000       1.136900    
 C    4.735100     -0.6382000      -1.439000    
 C   -1.578100      3.9900001E-02  0.7379000    
 C   -2.857600      0.5418000       1.406900    
 C  -0.3466000      0.8647000       1.074500    
 C   -4.058700     -0.3568000       1.107200    
 C    4.664700      -1.882100      0.6512000    
 C    5.204600      -1.673300     -0.6278000    
 C   -4.601300      0.9506000     -0.8341000    
 C   -5.425600      -1.297000     -0.6307000    
 C   -4.806000      0.9384000      -2.339600    
 C   -5.148800      -2.698700     -0.1140000    
 H    2.187700       1.378600       1.622200    
 H    1.508400       2.606500     -0.7458000    
 H    3.114200       2.752500     -2.6000001E-02
 H    2.301200      0.9429000      -2.335800    
 H    3.756000       1.976600      -2.153200    
 H   0.6960000     -0.4186000     -0.1856000    
 H    3.223800      -1.229100       2.121800    
 H   -1.684500      5.1300000E-02 -0.3531000    
 H   -1.380900     -0.9954000       1.042600    
 H   -3.038200       1.599100       1.188500    
 H   -2.699400      0.5190000       2.494600    
 H    5.148000     -0.4844000      -2.430100    
 H   -4.932800      4.9000001E-03   1.663900    
 H   -3.805500      -1.345800       1.503000    
 H    5.040800      -2.695200       1.266100    
 H    5.993100      -2.327300     -0.9904000    
 H   -3.756200       1.626100     -0.6781000    
 H   -5.475800       1.396400     -0.3437000    
 H   -5.553800      -1.401100      -1.713000    
 H   -6.374700     -0.9333000     -0.2171000    
 H   -4.788100       1.965900      -2.720700    
 H   -5.774500      0.5180000      -2.627400    
 H   -4.010800      0.3870000      -2.853200    
 H   -5.862700      -3.400100     -0.5610000    
 H   -5.275900      -2.778900      0.9700000    
 H   -4.144300      -3.042300     -0.3843000    


%chk=000110882-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110882

0 1
O -0.530333 1.984838 0.667849
N 0.803796 0.184646 0.058628
N -4.625361 -0.221073 -0.080548
C 2.049381 0.984390 0.007606
C 2.377220 1.566561 -1.410004
C 3.377515 0.567186 -2.069469
C 3.261912 0.107870 0.305868
C 4.013263 -0.132704 -0.873444
C 3.649180 -0.457169 1.538606
C 5.170293 -0.938268 -0.825079
C -1.616726 -0.204128 0.353771
C -2.645297 0.113080 1.459702
C -0.421003 0.749532 0.383244
C -3.999339 -0.590786 1.217843
C 4.812621 -1.262764 1.587844
C 5.567980 -1.500413 0.412783
C -5.242305 1.135292 -0.050210
C -5.563272 -1.262968 -0.580913
C -5.331939 1.786800 -1.443619
C -4.844335 -2.483214 -1.188455
H 1.901789 1.801022 0.736247
H 1.460458 1.728149 -2.000335
H 2.869549 2.547478 -1.278549
H 2.854030 -0.165763 -2.715791
H 4.120575 1.078771 -2.707478
H 0.856949 -0.812156 -0.160600
H 3.063734 -0.269365 2.446115
H -2.142769 -0.084643 -0.615927
H -1.283634 -1.259745 0.414002
H -2.768605 1.210717 1.500530
H -2.256462 -0.194547 2.450670
H 5.759800 -1.125922 -1.730279
H -4.682938 -0.372386 2.077078
H -3.837070 -1.685278 1.216542
H 5.135587 -1.700616 2.539100
H 6.469321 -2.122007 0.464894
H -4.615559 1.777945 0.593512
H -6.256919 1.105340 0.423012
H -6.190777 -0.801891 -1.365017
H -6.263591 -1.598763 0.226343
H -5.780115 2.795323 -1.369095
H -5.953490 1.195249 -2.140442
H -4.323334 1.881931 -1.881822
H -5.580565 -3.214842 -1.571123
H -4.212205 -3.003694 -0.446047
H -4.195910 -2.163618 -2.023137


