%chk=000148706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148706

0 1
 O    4.142600       3.307000     -0.1257000    
 N   0.6866000     -0.9247000      0.3060000    
 N   -5.126100       1.735600     -0.1806000    
 C  -0.5401000     -0.3130000      0.1976000    
 C  -0.3079000       1.050700      3.3799998E-02
 C   0.9098000      -2.345900      0.4873000    
 C    1.702400     -2.4999999E-03  0.2183000    
 C    1.109500       1.248400      4.7200002E-02
 C    1.033900      -3.079600     -0.8497000    
 C   -1.826300     -0.8658000      0.2327000    
 C   -1.416600       1.911700     -0.1034000    
 C    1.277700      -4.591400     -0.6936000    
 C   -2.926700     -2.3000001E-03  9.5500000E-02
 C   -2.721100       1.381400     -7.1999997E-02
 C    3.089100     -0.1817000      0.2774000    
 C    1.943800       2.379800     -7.0699997E-02
 C   -2.035600      -2.339400      0.4096000    
 C   -1.218200       3.388400     -0.2820000    
 C   0.1826000      -5.276600      0.1248000    
 C    2.639700      -4.832800     -3.8199998E-02
 C    3.332600       2.216900     -1.3200000E-02
 C    3.894600      0.9540000      0.1582000    
 C   -4.237500     -0.4915000      0.1217000    
 C   -3.852500       2.188800     -0.2033000    
 C   -5.285000      0.4059000     -1.8600000E-02
 C    5.548700       3.078700     -5.9200000E-02
 H   0.1777000      -2.749500       1.179300    
 H    1.847400      -2.442900       1.045600    
 H    1.870000      -2.648300      -1.417600    
 H   0.1595000      -2.915800      -1.487700    
 H    1.295500      -5.036200      -1.696200    
 H    3.542600      -1.158900      0.4032000    
 H    1.549300       3.377000     -0.2273000    
 H   -1.839400      -2.632200       1.445200    
 H   -3.040100      -2.698400      0.1888000    
 H   -1.447600      -2.914000     -0.2944000    
 H   -1.032300       3.622100      -1.334500    
 H   -2.045900       4.002300      7.7600002E-02
 H  -0.3818000       3.742200      0.3234000    
 H   0.1608000      -4.943300       1.166400    
 H  -0.8025000      -5.107600     -0.3198000    
 H   0.3483000      -6.359900      0.1387000    
 H    2.658900      -4.522500       1.011100    
 H    2.885900      -5.900300     -6.3900001E-02
 H    3.434300      -4.299700     -0.5708000    
 H    4.963700      0.7738000      0.2073000    
 H   -4.516200      -1.526100      0.2643000    
 H   -3.815400       3.259500     -0.3630000    
 H   -6.314800      6.4099997E-02  1.6000000E-03
 H    6.038900       4.052200     -0.1655000    
 H    5.896100       2.455400     -0.8902000    
 H    5.846700       2.677500      0.9155000    


%chk=000148706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148706

0 1
O 4.090346 3.299791 -0.177799
N 0.546563 -1.026262 0.180721
N -5.228925 2.052244 0.128637
C -0.693943 -0.348397 0.110530
C -0.416776 1.082555 0.007214
C 0.829963 -2.446645 0.456264
C 1.593031 -0.079948 0.091493
C 1.039605 1.239365 -0.017731
C 1.174318 -3.257551 -0.819099
C -2.008991 -0.857053 0.107016
C -1.449346 2.033556 -0.050720
C 1.612768 -4.727447 -0.559830
C -3.070985 0.115502 0.113669
C -2.803294 1.549714 0.037204
C 2.982346 -0.298468 0.119717
C 1.911124 2.346590 -0.103180
C -2.349379 -2.339351 0.057315
C -1.110480 3.505735 -0.195206
C 0.507985 -5.562080 0.134756
C 2.950220 -4.819104 0.216732
C 3.309495 2.128853 -0.080502
C 3.845990 0.818419 0.032067
C -4.455304 -0.269591 0.203223
C -3.939668 2.434513 0.048264
C -5.465297 0.689345 0.207783
C 5.543554 3.143064 -0.166358
H -0.028665 -2.887042 0.983186
H 1.680624 -2.480047 1.162877
H 1.981460 -2.730467 -1.364747
H 0.293923 -3.254214 -1.492549
H 1.784260 -5.175060 -1.561391
H 3.405283 -1.304383 0.201411
H 1.556955 3.375239 -0.182428
H -2.513594 -2.774441 1.063257
H -3.273450 -2.506713 -0.521186
H -1.563306 -2.924810 -0.441835
H -0.479911 3.672179 -1.088239
H -1.996358 4.147868 -0.297529
H -0.537467 3.867457 0.679809
H 0.331095 -5.221977 1.172719
H -0.450592 -5.496508 -0.414142
H 0.796103 -6.628279 0.184122
H 2.847156 -4.457925 1.257313
H 3.300632 -5.866509 0.268087
H 3.741629 -4.222903 -0.276020
H 4.927344 0.655025 0.049475
H -4.734449 -1.322930 0.290344
H -3.787409 3.517283 -0.003403
H -6.519079 0.399477 0.282495
H 5.944090 4.164028 -0.252865
H 5.892882 2.533530 -1.023494
H 5.895521 2.685377 0.779553


