%chk=000164952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164952

0 1
 O   -4.149600       4.028900      0.4309000    
 N  -0.8577000      -1.559300      3.8500000E-02
 N    1.678700       1.147300     -0.4696000    
 C   -2.826400      0.5883000     -0.2555000    
 C  -0.4566000     -0.2622000     -0.5710000    
 C   -3.214100     -0.8215000      0.2476000    
 C   -1.333500      0.8549000      8.2999999E-03
 C   -2.245700      -1.886200     -0.3053000    
 C    1.003500     -3.1500001E-02 -0.3257000    
 C   6.3100003E-02  -2.653300     -0.3400000    
 C   -3.667600       1.695200      0.3843000    
 C   -4.651100      -1.197600     -0.1250000    
 C    1.911600      -1.010000      2.0300001E-02
 C    1.480800      -2.419100      0.2334000    
 C    3.189600     -0.3978000      0.1222000    
 C    3.015600      0.9552000     -0.1893000    
 C   -3.349900       3.050000     -0.2181000    
 C   -5.044000      -2.529800      0.4798000    
 C    4.481700     -0.8577000      0.4460000    
 C    4.075300       1.869500     -0.1924000    
 C    5.549300      4.7200002E-02  0.4477000    
 C    5.346900       1.389400      0.1330000    
 H   -2.988800      0.6161000      -1.342500    
 H  -0.6024000     -0.3076000      -1.660200    
 H   -3.130900     -0.8220000       1.344500    
 H   -1.151800      0.9624000       1.086700    
 H   -1.028100       1.795700     -0.4600000    
 H   -2.478000      -2.856400      0.1456000    
 H   -2.365300      -1.991300      -1.391800    
 H   0.1119000      -2.745900      -1.433500    
 H  -0.2991000      -3.612200      5.0200000E-02
 H   -3.511500       1.723700       1.470300    
 H   -4.738700       1.518600      0.2453000    
 H   -4.778200      -1.230000      -1.213400    
 H   -5.356200     -0.4541000      0.2569000    
 H    2.185500      -3.112300     -0.2391000    
 H    1.478600      -2.627700       1.310500    
 H    1.268500       2.030700     -0.7395000    
 H   -2.311600       3.349000     -6.2899999E-02
 H   -3.573900       3.069800      -1.289400    
 H   -4.562900      -3.371400     -2.6900001E-02
 H   -4.807100      -2.576600       1.547500    
 H   -6.124300      -2.678500      0.3739000    
 H    4.655100      -1.901300      0.6926000    
 H    3.919800       2.914700     -0.4381000    
 H    6.547500     -0.3027000      0.6970000    
 H   -3.941400       4.886000      2.1500001E-02
 H    6.190500       2.074800      0.1398000    


%chk=000164952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164952

0 1
O -4.450323 3.996667 0.399007
N -0.832463 -1.563144 0.017245
N 1.726679 1.146613 -0.590235
C -2.827650 0.599723 -0.261725
C -0.434797 -0.265898 -0.592179
C -3.222084 -0.825017 0.243735
C -1.319459 0.859165 -0.003572
C -2.237150 -1.882511 -0.312472
C 1.040624 -0.059856 -0.363136
C 0.110115 -2.670903 -0.289824
C -3.708807 1.707690 0.372540
C -4.685148 -1.195925 -0.120694
C 1.938696 -1.027672 0.076458
C 1.484087 -2.432657 0.379933
C 3.246215 -0.405000 0.139643
C 3.084009 0.964252 -0.287911
C -3.355340 3.130666 -0.075173
C -5.145079 -2.579147 0.394523
C 4.540597 -0.858738 0.506477
C 4.165291 1.868115 -0.353393
C 5.624645 0.039807 0.442705
C 5.439658 1.388629 0.018053
H -2.989522 0.616162 -1.364959
H -0.628762 -0.292842 -1.704249
H -3.118962 -0.832929 1.350079
H -1.125474 0.925824 1.084189
H -1.026780 1.826434 -0.460263
H -2.468236 -2.868239 0.128505
H -2.392339 -1.970254 -1.423435
H 0.255212 -2.790576 -1.394562
H -0.337609 -3.608155 0.088872
H -3.645309 1.651260 1.477250
H -4.769050 1.551352 0.102663
H -4.806040 -1.152323 -1.223821
H -5.366510 -0.431651 0.296942
H 2.210791 -3.179668 0.003560
H 1.390708 -2.589009 1.472912
H 1.303616 2.017401 -0.902298
H -2.388117 3.460244 0.359473
H -3.275814 3.170351 -1.185278
H -4.613092 -3.409871 -0.103303
H -4.973673 -2.672299 1.483798
H -6.225633 -2.724361 0.211313
H 4.695589 -1.892275 0.836739
H 4.029578 2.905681 -0.679814
H 6.628409 -0.298626 0.723581
H -4.240279 4.941250 0.188227
H 6.302082 2.063664 -0.021024


