%chk=000114702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114702

0 1
 O    4.013000      -1.131000      -1.304600    
 N  -0.2171000      -2.440100      0.1027000    
 N    2.538800      7.0000000E-02 -1.1300000E-02
 N   -5.600400      0.2003000     -0.1033000    
 N    4.851000      0.5398000      7.6399997E-02
 C   -1.321300      -1.485000      0.4006000    
 C   -1.014300     -2.9899999E-02 -6.5200001E-02
 C   -2.669100      -2.046900     -0.1866000    
 C    1.363000     -0.6333000     -0.4631000    
 C    1.090100      -1.850100      0.4266000    
 C   -3.740700      -1.016700     -0.1386000    
 C   -2.129500      0.9431000     -5.1399998E-02
 C   -3.397100      0.3499000     -8.2400002E-02
 C   0.2123000      0.3262000     -0.4851000    
 C   -4.559600       1.102600     -6.4900003E-02
 C  -0.3697000      -3.707300      0.8252000    
 C   -5.113700      -1.088400     -0.1504000    
 C   -2.078300       2.341400     -2.2000000E-03
 C   -4.526400       2.496900     -1.7000001E-02
 C   -3.258500       3.098700      1.3700000E-02
 C    3.816000     -0.2366000     -0.4764000    
 C    6.246800      0.3428000     -0.2922000    
 C    4.592300       1.592800       1.055200    
 C    6.634500       1.203300      -1.476900    
 C    4.637800       1.057300       2.471500    
 H   -1.439900      -1.416300       1.493900    
 H   -2.997200      -2.925900      0.3792000    
 H   -2.524100      -2.353600      -1.230600    
 H    1.535500     -0.9688000      -1.494000    
 H    1.889900      -2.583000      0.2557000    
 H    1.140300      -1.576600       1.490500    
 H   0.4083000       1.327500     -0.8599000    
 H  -0.4204000      -3.560100       1.909900    
 H   0.4723000      -4.376000      0.6109000    
 H   -1.263700      -4.248600      0.5024000    
 H   -5.792900      -1.928300     -0.1909000    
 H    2.412000      0.6881000      0.7796000    
 H   -1.125700       2.863300      3.5200000E-02
 H   -6.580500      0.4466000     -0.1020000    
 H   -5.432900       3.091300     -3.0000000E-03
 H   -3.190500       4.183600      5.4200001E-02
 H    6.888600      0.5518000      0.5703000    
 H    6.391200     -0.7101000     -0.5589000    
 H    5.361900       2.365800      0.9392000    
 H    3.646200       2.103600      0.8565000    
 H    6.011400      0.9782000      -2.349000    
 H    6.516300       2.267900      -1.250700    
 H    7.679500       1.027300      -1.750100    
 H    3.878500      0.2851000       2.631400    
 H    5.612900      0.6140000       2.698100    
 H    4.458200       1.864300       3.188600    


%chk=000114702-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114702

0 1
O 4.024911 -1.175396 -1.165730
N -0.211268 -2.377046 0.041804
N 2.572137 0.189383 0.049586
N -5.750716 0.119429 -0.033747
N 4.924280 0.543007 0.148284
C -1.366089 -1.487895 0.341315
C -1.068281 -0.022080 -0.061149
C -2.665782 -2.049561 -0.340499
C 1.381479 -0.537590 -0.434513
C 1.084331 -1.780775 0.433742
C -3.806979 -1.077866 -0.179474
C -2.221116 0.911337 0.005523
C -3.503531 0.316355 -0.029591
C 0.180382 0.377210 -0.440891
C -4.716090 1.061995 0.051003
C -0.364756 -3.744788 0.578825
C -5.196497 -1.177097 -0.171922
C -2.188126 2.321114 0.129216
C -4.680226 2.470426 0.169411
C -3.398305 3.072905 0.203190
C 3.852546 -0.200075 -0.360479
C 6.293008 0.116813 -0.219837
C 4.767712 1.767492 0.955853
C 6.830287 0.829833 -1.479778
C 4.653671 1.502828 2.477426
H -1.571195 -1.473506 1.448663
H -2.916398 -3.032598 0.095296
H -2.429130 -2.215220 -1.410391
H 1.623902 -0.885628 -1.456491
H 1.885884 -2.522198 0.274563
H 1.102021 -1.478461 1.514495
H 0.349725 1.409013 -0.777883
H -0.519253 -3.768273 1.687931
H 0.546659 -4.322464 0.347995
H -1.213156 -4.263745 0.102900
H -5.844275 -2.047776 -0.258893
H 2.441473 0.818858 0.841493
H -1.231105 2.851146 0.192938
H -6.746327 0.325729 -0.005510
H -5.586927 3.081510 0.234369
H -3.333936 4.162841 0.301349
H 6.957347 0.304419 0.646343
H 6.262106 -0.970449 -0.401058
H 5.648362 2.409148 0.766077
H 3.892412 2.342382 0.595030
H 6.193966 0.586175 -2.347310
H 6.846035 1.928586 -1.352094
H 7.862207 0.498172 -1.699946
H 3.771356 0.882616 2.720029
H 5.546374 0.966096 2.844918
H 4.569990 2.454570 3.034418


