%chk=000154500.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154500

0 1
 O   4.4300001E-02  -1.714200     -0.9446000    
 O   -4.314800      -4.192900     -0.1582000    
 N   -2.670700       1.092900      0.2555000    
 N    1.969900      0.3384000      -1.138300    
 N    4.887500     -0.7072000      0.5014000    
 N   -2.451200       3.290600      0.5555000    
 C   -1.377500       1.408100     -4.6599999E-02
 C  -0.3723000      0.5548000     -0.4612000    
 C   0.8749000       1.118000     -0.7100000    
 C   -3.118600     -0.2381000      0.1603000    
 C   -1.247000       2.765900      0.1400000    
 C    4.238700     -0.2127000      -1.807500    
 C   -2.184200      -1.222000     -0.2562000    
 C    3.261500      0.8926000      -1.402400    
 C    4.391800      -1.281200     -0.7270000    
 C  -0.7574000     -0.8635000     -0.5877000    
 C   -3.283600       2.263900      0.6151000    
 C    1.057700       2.498600     -0.5342000    
 C   8.7000001E-03   3.342700     -0.1092000    
 C   -4.434400     -0.5831000      0.4641000    
 C    6.200400     -7.9000004E-02  0.3008000    
 C    4.980100      -1.721000       1.560600    
 C   -2.593800      -2.552300     -0.3613000    
 C   -4.694700       2.411000       1.025500    
 C   -4.825800      -1.918100      0.3532000    
 C   -3.913300      -2.895100     -5.6200001E-02
 C    6.686000      0.5960000       1.572400    
 C    3.638100      -2.393200       1.796000    
 H    3.843900     -0.7098000      -2.705000    
 H    5.193700      0.2144000      -2.128100    
 H    3.201800       1.607100      -2.232400    
 H    3.652100       1.427000     -0.5289000    
 H    5.070000      -2.060800      -1.100000    
 H    3.418300      -1.762500     -0.6010000    
 H    1.776500     -0.6271000      -1.377800    
 H    2.013600       2.981800     -0.7204000    
 H   0.1753000       4.407300      1.8600000E-02
 H    6.148300      0.7252000     -0.4378000    
 H    6.949600     -0.8003000     -4.8599999E-02
 H    5.248900      -1.256700       2.514800    
 H    5.737600      -2.481500       1.333000    
 H   -5.200900      0.1009000      0.7857000    
 H   -1.897300      -3.324200     -0.6780000    
 H   -4.910400       1.852400       1.940800    
 H   -4.902600       3.463100       1.254800    
 H   -5.381200       2.134200      0.2204000    
 H   -5.850300      -2.196400      0.5881000    
 H    5.908300       1.222900       2.022100    
 H    7.042000     -0.1212000       2.318200    
 H    7.535500       1.248300       1.339800    
 H    2.824500      -1.663800       1.876100    
 H    3.391200      -3.121100       1.016900    
 H    3.668800      -2.949800       2.739700    
 H   -3.562400      -4.734500     -0.4526000    


%chk=000154500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154500

0 1
O 0.108881 -1.712291 -1.254218
O -4.257559 -4.362660 -0.694851
N -2.710349 0.980159 0.363077
N 1.893653 0.372077 -1.227238
N 5.048184 -0.767589 0.448489
N -2.469621 3.194464 0.937308
C -1.398626 1.347833 0.065916
C -0.402295 0.519850 -0.478339
C 0.889564 1.139176 -0.693234
C -3.120873 -0.356308 0.104502
C -1.245568 2.706261 0.417485
C 4.170676 -0.344799 -1.879258
C -2.146778 -1.260643 -0.448171
C 3.268182 0.831766 -1.462301
C 4.387969 -1.370399 -0.739083
C -0.738291 -0.860806 -0.762138
C -3.332691 2.166518 0.902446
C 1.064723 2.527098 -0.340126
C 0.022190 3.302874 0.205792
C -4.434317 -0.828142 0.366098
C 6.525962 -0.681022 0.291768
C 4.636934 -1.406931 1.729888
C -2.521520 -2.600800 -0.716945
C -4.752007 2.256723 1.368557
C -4.785298 -2.158193 0.092867
C -3.825374 -3.049353 -0.450807
C 7.163270 0.425977 1.153820
C 3.219412 -1.002635 2.177860
H 3.738331 -0.864066 -2.758722
H 5.145532 0.067580 -2.201721
H 3.279981 1.617327 -2.247461
H 3.685710 1.267340 -0.532030
H 4.970097 -2.238279 -1.136548
H 3.407762 -1.772949 -0.426624
H 1.615681 -0.603515 -1.445669
H 2.040168 2.992179 -0.505909
H 0.190601 4.353818 0.462168
H 6.739713 -0.461958 -0.771281
H 7.015700 -1.663709 0.513761
H 5.354623 -1.090113 2.508358
H 4.711195 -2.522668 1.667576
H -5.190673 -0.162837 0.783279
H -1.746171 -3.253618 -1.138348
H -4.965777 1.564205 2.204258
H -4.916126 3.285114 1.724471
H -5.476180 2.053019 0.557498
H -5.795726 -2.526485 0.292301
H 6.714738 1.404448 0.907815
H 7.014454 0.247240 2.233940
H 8.253046 0.478408 0.971649
H 3.155843 0.092988 2.299506
H 2.448250 -1.306180 1.447091
H 2.971496 -1.481051 3.143913
H -3.525600 -4.909642 -1.074236


