%chk=000176710.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176710

0 1
 O   -4.165900     -0.2775000       1.266400    
 O   -1.567800      0.6603000      0.4598000    
 N   -2.073700      -1.555800     -0.2404000    
 N   -1.621700      -1.993800      0.9239000    
 N   -1.801200      -3.651300     -0.6423000    
 C   -4.411600       1.604100     -0.2652000    
 C   -3.893800      0.1389000     -7.6300003E-02
 C   -2.399800     -0.1248000     -0.4026000    
 C   -5.896000       1.710400      0.1332000    
 C   -3.610800       2.641000      0.5427000    
 C   -4.292600       1.983000      -1.759600    
 C  -0.2057000      0.5851000      0.3448000    
 C   -2.185300      -2.512200      -1.170000    
 C   0.3675000      0.3045000     -0.8911000    
 C   0.5933000      0.7886000       1.465000    
 C   -1.467500      -3.286600      0.6306000    
 C    2.562100      0.4297000      0.1115000    
 C    1.755300      0.2267000      -1.008100    
 C    1.981000      0.7107000       1.348000    
 C    4.001300      0.3483000     -9.4999997E-03
 C    4.649600     -0.8726000      0.1776000    
 C    4.741000       1.490800     -0.3155000    
 C    6.037100     -0.9511000      5.8699999E-02
 C    6.128600       1.412200     -0.4343000    
 C    6.776700      0.1913000     -0.2472000    
 H   -4.503400     -0.5123000     -0.7182000    
 H   -2.228900      0.1267000      -1.453900    
 H   -6.504600      0.9850000     -0.4184000    
 H   -6.037400       1.522900       1.203200    
 H   -6.296900       2.708100     -7.9800002E-02
 H   -4.108300       3.618200      0.5223000    
 H   -2.608000       2.802200      0.1365000    
 H   -3.520300       2.345100       1.593200    
 H   -3.249800       2.022100      -2.090400    
 H   -4.726800       2.971700      -1.949600    
 H   -4.822100       1.262700      -2.393200    
 H   -4.044500      -1.240600       1.313200    
 H   -2.535800      -2.356900      -2.180500    
 H  -0.2117000      0.1652000      -1.796700    
 H   0.1444000       1.006900       2.429800    
 H   -1.100500      -3.985000       1.367800    
 H    2.192800      1.2100000E-02  -1.980400    
 H    2.595200      0.8713000       2.231000    
 H    4.088300      -1.773000      0.4162000    
 H    4.251700       2.450400     -0.4650000    
 H    6.541900      -1.901700      0.2043000    
 H    6.704600       2.301600     -0.6727000    
 H    7.857200      0.1302000     -0.3398000    


%chk=000176710-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176710

0 1
O -4.407682 0.069611 1.443884
O -1.609953 0.372798 0.685569
N -2.468421 -1.805360 0.135999
N -3.135292 -2.341149 1.251424
N -1.932734 -3.986240 0.156997
C -4.247460 1.647141 -0.421794
C -3.988325 0.178927 0.058079
C -2.542657 -0.354320 -0.163811
C -5.791450 1.828120 -0.448522
C -3.634467 2.687087 0.550966
C -3.685964 1.856328 -1.853007
C -0.222748 0.330130 0.393747
C -1.756123 -2.810470 -0.489149
C 0.335009 0.066301 -0.879847
C 0.621777 0.647590 1.482008
C -2.778965 -3.648944 1.209208
C 2.605620 0.439370 0.027572
C 1.734993 0.122867 -1.048524
C 2.014057 0.702030 1.296041
C 4.082351 0.501236 -0.164599
C 4.738638 -0.352513 -1.094521
C 4.876900 1.420294 0.576049
C 6.136010 -0.288051 -1.279783
C 6.274761 1.483376 0.394673
C 6.912738 0.630185 -0.535407
H -4.611820 -0.486897 -0.589950
H -2.283257 -0.251854 -1.232794
H -6.263734 1.157286 -1.192555
H -6.218252 1.600702 0.542666
H -6.050128 2.869158 -0.715792
H -3.940962 3.705877 0.247156
H -2.533125 2.638515 0.561023
H -3.990440 2.497812 1.576984
H -2.579145 1.869736 -1.867304
H -4.024139 2.832666 -2.245012
H -4.043195 1.076919 -2.555773
H -4.152202 -0.850968 1.756559
H -1.141547 -2.657771 -1.371592
H -0.292006 -0.148742 -1.751520
H 0.167969 0.837053 2.459181
H -3.136702 -4.364729 1.943695
H 2.151897 -0.047215 -2.047325
H 2.655084 0.918461 2.157343
H 4.155656 -1.094394 -1.652410
H 4.393744 2.112034 1.275547
H 6.620305 -0.961551 -1.995804
H 6.864682 2.205021 0.970853
H 7.997903 0.679340 -0.677428


