%chk=000001266.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001266

0 1
 O   0.2511000      -1.551100       1.254000    
 O    1.097200       2.840300      0.7727000    
 N    1.568200      -2.277700     -0.5766000    
 N   -1.927900      -2.109100     -0.6173000    
 N   -4.213000     -0.1372000      0.8666000    
 N   -6.150000     -0.8034000     -5.9000002E-03
 N    1.084400       4.312900      -2.460800    
 C  -0.7029000      -2.901600     -0.5332000    
 C  -9.5500000E-02  -3.137500      -1.920400    
 C    1.388200      -3.247600      -1.630700    
 C   0.3894000      -2.123800      0.1817000    
 C    2.832200      -1.713600     -0.2501000    
 C   -2.744800      -2.213100      0.5955000    
 C    2.969100     -0.3745000      0.2255000    
 C   -4.007900      -1.433100      0.4513000    
 C    3.973600      -2.520800     -0.3789000    
 C    4.235100      5.9900001E-02  0.6917000    
 C    1.929300      0.5877000      0.2016000    
 C   -3.283500      0.7499000       1.553200    
 C    5.216100      -2.067100      5.2800000E-02
 C    5.340400     -0.7976000      0.6078000    
 C   -5.222600      -1.806600     -9.3800001E-02
 C    2.082600       1.873800      0.7314000    
 C    4.387200       1.355300       1.214300    
 C   -2.328300       1.473700      0.6364000    
 C   -5.518200      0.1814000      0.5891000    
 C    3.317100       2.248500       1.250200    
 C   -1.048100       1.799000       1.113000    
 C  -0.1519000       2.508500      0.3054000    
 C   -2.697200       1.924000     -0.6413000    
 C  -0.5289000       2.948400     -0.9615000    
 C   -1.803000       2.649800      -1.434300    
 C   0.3624000       3.702100      -1.789700    
 H  -0.8503000      -3.864000     -2.8100001E-02
 H  -0.2745000      -2.276400      -2.578800    
 H  -0.4993000      -4.026100      -2.414800    
 H    1.644300      -4.243100      -1.251400    
 H    1.993500      -3.003700      -2.508900    
 H   -2.480300      -2.442700      -1.408200    
 H   -2.195000      -1.873600       1.477200    
 H   -3.007200      -3.263800      0.7744000    
 H    3.905600      -3.535900     -0.7622000    
 H   0.9879000      0.3231000     -0.2699000    
 H   -2.745800      0.1412000       2.288200    
 H   -3.874600       1.486900       2.110200    
 H    6.085800      -2.713200     -2.3399999E-02
 H    6.320300     -0.4742000      0.9536000    
 H   -5.472200      -2.759400     -0.5384000    
 H    5.352500       1.687800       1.592200    
 H   -5.945700       1.143400      0.8374000    
 H    3.465100       3.243600       1.661300    
 H  -0.7454000       1.495300       2.112600    
 H   -3.689700       1.729000      -1.037900    
 H   -2.125000       2.982700      -2.418500    


%chk=000001266-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001266

0 1
O 0.088964 -1.699431 1.322743
O 1.262534 2.888467 -0.080754
N 1.570051 -2.313498 -0.429564
N -1.987281 -2.146815 -0.743685
N -3.978640 -0.287222 1.000847
N -6.184303 -0.578159 0.530905
N 0.316903 4.994707 -2.803845
C -0.719486 -2.891086 -0.740542
C -0.002932 -2.913205 -2.109714
C 1.500054 -3.012442 -1.742396
C 0.326307 -2.227213 0.199473
C 2.816788 -1.839210 0.114575
C -2.959941 -2.542999 0.307663
C 3.010849 -0.424755 0.314726
C -4.099941 -1.576882 0.441184
C 3.836283 -2.744252 0.426932
C 4.262612 0.032490 0.881986
C 2.009154 0.529519 -0.036527
C -2.741936 0.353570 1.469701
C 5.079668 -2.283696 0.957665
C 5.284641 -0.921479 1.191223
C -5.463941 -1.725896 0.164158
C 2.212746 1.880738 0.236505
C 4.440540 1.439797 1.107199
C -2.121289 1.360845 0.500431
C -5.259234 0.264477 1.031912
C 3.434089 2.354546 0.804044
C -0.745079 1.642514 0.653678
C -0.106275 2.564327 -0.198107
C -2.862281 2.037584 -0.500782
C -0.843128 3.263411 -1.195687
C -2.231882 2.985921 -1.327888
C -0.197117 4.207240 -2.064916
H -0.854325 -3.942537 -0.380560
H -0.194982 -1.957968 -2.633358
H -0.329627 -3.744225 -2.755964
H 1.828018 -4.066747 -1.646413
H 2.156606 -2.511605 -2.473327
H -2.418860 -2.077712 -1.673144
H -2.395661 -2.605765 1.257339
H -3.395618 -3.554383 0.127428
H 3.670810 -3.817257 0.280583
H 1.082842 0.184912 -0.498658
H -1.993978 -0.431011 1.679478
H -2.964020 0.863271 2.428021
H 5.863263 -3.010109 1.196113
H 6.231918 -0.567982 1.614532
H -5.967563 -2.591750 -0.261605
H 5.387216 1.791209 1.532744
H -5.462622 1.254881 1.434801
H 3.552079 3.427366 0.979936
H -0.165996 1.109774 1.414464
H -3.924175 1.816219 -0.643026
H -2.802920 3.516205 -2.096226


