%chk=000153727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153727

0 1
 O   -4.020600      -4.246900     -0.1321000    
 N   -3.478300       1.197600      0.1854000    
 N    2.667400     -0.1651000     -0.3942000    
 N    2.842700       2.176500     -0.2522000    
 N    5.818400      -2.045100     -1.8100001E-02
 C   -1.555800      9.3500003E-02 -4.0500000E-02
 C   -2.116400       1.362000      8.8299997E-02
 C   -1.349200       2.533600      0.1052000    
 C   -2.628900     -0.8532000     -1.8200001E-02
 C   0.6405000       1.147000     -0.1451000    
 C   4.6700001E-02   2.417800     -1.3400000E-02
 C   -3.815500     -0.1338000      0.1237000    
 C  -0.1545000     -1.5600000E-02 -0.1591000    
 C    2.030900       1.095300     -0.2593000    
 C   -2.015700       3.866800      0.2456000    
 C   -2.699300      -2.259500     -0.1061000    
 C   0.8695000       3.549600     -3.8000001E-03
 C   -5.071500     -0.7484000      0.1825000    
 C    4.049300     -0.3633000     -0.1045000    
 C    4.429700      -1.821600     -0.3145000    
 C   -3.948100      -2.888800     -4.8799999E-02
 C   -5.115300      -2.142300      9.3400002E-02
 C    2.239700       3.376400     -0.1243000    
 C    6.200500      -3.444500     -0.2641000    
 C    6.133800      -1.688000       1.373900    
 H   0.2716000      -1.010000     -0.2489000    
 H   -4.149700       1.945200      0.2882000    
 H   -1.664000       4.376200       1.149300    
 H   -1.805400       4.492700     -0.6284000    
 H   -3.103600       3.795800      0.3275000    
 H   -1.789700      -2.843700     -0.2168000    
 H   0.4842000       4.559000      9.3999997E-02
 H   -5.981000     -0.1675000      0.2933000    
 H    2.201700     -0.8405000     -0.9907000    
 H    4.668900      0.2732000     -0.7488000    
 H    4.212000     -5.2700002E-02  0.9322000    
 H    3.779700      -2.464200      0.2958000    
 H    4.226000      -2.084600      -1.361300    
 H   -6.078900      -2.644500      0.1368000    
 H    2.908700       4.230800     -0.1208000    
 H    5.655800      -4.139100      0.3855000    
 H    6.002700      -3.717200      -1.306700    
 H    7.275000      -3.584600     -0.1019000    
 H    5.452000      -2.161300       2.089800    
 H    7.153900      -2.002900       1.626100    
 H    6.128800     -0.6047000       1.527100    
 H   -3.121700      -4.605700     -0.2272000    


%chk=000153727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000153727

0 1
O -5.015561 -3.885650 -1.174705
N -3.563579 1.296695 0.380377
N 2.441576 -0.881706 -0.677335
N 2.939090 1.328195 -0.120056
N 6.005620 -1.929888 0.191435
C -1.785473 -0.061825 -0.180418
C -2.163031 1.265212 0.266687
C -1.227809 2.282269 0.507117
C -3.017533 -0.828717 -0.336298
C 0.557478 0.627297 -0.132503
C 0.158564 1.960436 0.298736
C -4.099026 0.043585 0.020250
C -0.433374 -0.366262 -0.375463
C 1.991800 0.374694 -0.302074
C -1.647968 3.668239 0.959248
C -3.291083 -2.156163 -0.741848
C 1.196633 2.938892 0.491501
C -5.440865 -0.387090 -0.020962
C 3.863550 -1.191920 -0.883728
C 4.581817 -1.592670 0.429674
C -4.637060 -2.582634 -0.782957
C -5.702087 -1.711363 -0.426970
C 2.523467 2.585260 0.259945
C 6.570368 -2.791695 1.249873
C 6.849145 -0.736982 -0.040944
H -0.162708 -1.368357 -0.727809
H -4.111901 2.101518 0.670643
H -1.181634 3.936002 1.925967
H -1.344737 4.440704 0.227397
H -2.740399 3.755129 1.090306
H -2.477716 -2.838888 -1.019555
H 0.955697 3.956083 0.809263
H -6.267534 0.277540 0.250969
H 1.774037 -1.647416 -0.728375
H 3.952835 -2.020228 -1.609948
H 4.337308 -0.294060 -1.312357
H 4.456222 -0.762941 1.167043
H 4.083342 -2.488315 0.848520
H -6.724700 -2.096130 -0.477647
H 3.328646 3.318469 0.384904
H 6.611953 -2.297546 2.254355
H 5.966557 -3.711809 1.346153
H 7.599960 -3.086914 0.976581
H 6.909237 -0.066509 0.853525
H 7.873825 -1.056690 -0.303325
H 6.454414 -0.142014 -0.880923
H -4.220361 -4.424138 -1.410467


