%chk=000103818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103818

0 1
 O   -2.651200     -0.7562000      -1.653600    
 N  -0.7043000      0.6636000     -0.3651000    
 N   -4.177500     -0.3790000      5.0000001E-02
 C  -0.1667000     -0.6102000      0.1724000    
 C   0.1968000       1.837300     -0.4279000    
 C    2.149500      0.5588000      0.6433000    
 C    1.056600     -0.4175000       1.112900    
 C    1.682900       1.415400     -0.5345000    
 C   -1.189700      -1.453300      0.9881000    
 C   0.1939000      -1.480000      -1.052400    
 C  -0.1147000       2.634900      -1.719000    
 C   1.3800000E-02   2.788900      0.7773000    
 C   -2.101200      0.9621000     -6.8300001E-02
 C    3.523200     -3.4400001E-02  0.3671000    
 C   -2.984300     -0.1341000     -0.6410000    
 C    4.664000      0.7425000      0.5535000    
 C    3.634000      -1.351700     -7.1300000E-02
 C    5.923300      0.1987000      0.3000000    
 C    4.893300      -1.895600     -0.3246000    
 C    6.037900      -1.120400     -0.1389000    
 C   -5.133600      -1.399100     -0.3745000    
 C   -4.555500      0.3657000       1.245100    
 C   -4.829300      -2.739700      0.2723000    
 C   -5.361300       1.603400      0.8888000    
 H    2.305900       1.236100       1.497100    
 H    1.472200      -1.386000       1.415700    
 H   0.6635000     -3.3000000E-03   2.054900    
 H    2.318900       2.310400     -0.5969000    
 H    1.855300      0.8895000      -1.482300    
 H  -0.6589000      -2.257900       1.517000    
 H   -1.687100     -0.8790000       1.775400    
 H   -1.917600      -1.989300      0.3806000    
 H   0.6143000      -2.438400     -0.7241000    
 H  -0.6541000      -1.737100      -1.686900    
 H   0.9383000      -1.012300      -1.701300    
 H   -1.109600       3.090900      -1.705100    
 H   0.6035000       3.452200      -1.856900    
 H  -5.4200001E-02   1.992200      -2.605400    
 H   0.7648000       3.587500      0.7608000    
 H  -0.9668000       3.278000      0.7687000    
 H   0.1109000       2.267400       1.734600    
 H   -2.441600       1.876800     -0.5642000    
 H   -2.183500       1.132000       1.000000    
 H    4.588200       1.771700      0.8937000    
 H    2.773300      -1.985100     -0.2401000    
 H    6.814600      0.8024000      0.4440000    
 H    4.982900      -2.921700     -0.6692000    
 H    7.018300      -1.543500     -0.3369000    
 H   -6.151800      -1.072500     -0.1379000    
 H   -5.068200      -1.508600      -1.462800    
 H   -5.179100     -0.2877000       1.868700    
 H   -3.711900      0.6184000       1.884100    
 H   -3.855400      -3.121500     -4.7400001E-02
 H   -4.820600      -2.666200       1.364200    
 H   -5.586200      -3.476600     -1.4400000E-02
 H   -4.775100       2.297000      0.2781000    
 H   -6.263200       1.344300      0.3249000    
 H   -5.670000       2.128900       1.797900    


%chk=000103818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103818

0 1
O -2.885233 -1.172813 -1.132942
N -0.558135 -0.026893 0.363344
N -4.375364 0.063678 0.137090
C 0.146468 -1.359025 0.392885
C -0.028775 1.061380 -0.531521
C 2.191327 0.288769 0.516461
C 1.636162 -1.129058 0.842054
C 1.500312 0.831835 -0.756524
C -0.510156 -2.290327 1.445059
C 0.110210 -2.129146 -0.970458
C -0.734208 1.132511 -1.920026
C -0.198069 2.448260 0.165611
C -1.944801 0.092212 0.802273
C 3.714786 0.306728 0.405177
C -3.087591 -0.385149 -0.153563
C 4.496291 1.096197 1.286758
C 4.389923 -0.452855 -0.588393
C 5.906473 1.129596 1.185121
C 5.796944 -0.421099 -0.697480
C 6.563496 0.370446 0.190625
C -5.487968 -0.383026 -0.739795
C -4.733551 0.935646 1.279542
C -6.131755 -1.700096 -0.256819
C -4.788727 2.436324 0.911406
H 1.908059 0.959901 1.350451
H 2.266499 -1.897189 0.354411
H 1.725283 -1.295393 1.933061
H 1.954502 1.795528 -1.053191
H 1.667743 0.138836 -1.601118
H 0.111172 -3.198287 1.544422
H -0.557870 -1.810056 2.440309
H -1.522129 -2.611667 1.139501
H 0.524277 -3.147426 -0.834673
H -0.930375 -2.199460 -1.326179
H 0.714006 -1.632239 -1.748995
H -1.794630 1.428431 -1.819272
H -0.233011 1.883723 -2.561190
H -0.710145 0.155255 -2.427331
H 0.293603 3.230656 -0.440540
H -1.258842 2.744046 0.264518
H 0.254889 2.444718 1.172839
H -2.133169 1.147290 1.066379
H -2.082465 -0.472397 1.744628
H 3.992781 1.689737 2.060527
H 3.810706 -1.073151 -1.284055
H 6.489918 1.745146 1.879744
H 6.297479 -1.013234 -1.472576
H 7.656052 0.393560 0.108059
H -6.240323 0.427732 -0.778282
H -5.076231 -0.524466 -1.753084
H -5.724392 0.609769 1.650989
H -4.026680 0.774154 2.110675
H -5.385386 -2.512134 -0.274539
H -6.527280 -1.606635 0.771778
H -6.969742 -1.985143 -0.919516
H -3.799967 2.801336 0.580130
H -5.506898 2.615797 0.091402
H -5.105590 3.038267 1.783133


