%chk=000169822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169822

0 1
 O    4.020100      -2.365300      0.6196000    
 O   -5.096600     -0.2653000      -1.647900    
 O   -3.752300      -1.701300     -0.5177000    
 N    2.729400     -0.4332000      0.9526000    
 N    4.133400     -0.5062000     -0.8089000    
 C    2.465300      0.7892000      0.2208000    
 C    3.599400      0.8407000     -0.8195000    
 C    1.095900      0.7227000     -0.4371000    
 C  -5.9500001E-02  0.6612000      0.5643000    
 C   -1.465000      0.6378000     -4.5499999E-02
 C   -2.626400      0.5161000      0.9512000    
 C    4.682500       1.840000     -0.4292000    
 C    3.670300      -1.239200      0.2941000    
 C   -4.029200      0.5686000      0.3222000    
 C   -5.103100      0.5291000       1.407500    
 C   -4.264400     -0.5948000     -0.6264000    
 H    2.506200       1.629200      0.9230000    
 H    3.240600       1.064700      -1.829600    
 H   0.9596000       1.608200      -1.070600    
 H    1.032400     -0.1504000      -1.099800    
 H   4.9600001E-02 -0.2336000       1.189100    
 H   1.0400000E-02   1.521800       1.241600    
 H   -1.602300       1.554500     -0.6330000    
 H   -1.512800     -0.1937000     -0.7586000    
 H    2.250600     -0.7084000       1.804300    
 H    4.817600     -0.8556000      -1.472400    
 H   -2.505700     -0.4189000       1.513600    
 H   -2.537000       1.330200       1.682000    
 H    5.094900       1.622500      0.5625000    
 H    5.512700       1.807000      -1.143200    
 H    4.283000       2.859100     -0.4181000    
 H   -4.117100       1.501800     -0.2478000    
 H   -4.995300       1.374200       2.095100    
 H   -5.046200     -0.3968000       1.990800    
 H   -6.104900      0.5783000      0.9669000    
 H   -5.233800      -1.016200      -2.264000    


%chk=000169822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169822

0 1
O 4.150097 -2.445038 0.514431
O -5.266816 -0.393574 -1.551535
O -3.768604 -1.785484 -0.457967
N 2.831842 -0.499673 0.930173
N 4.160655 -0.498427 -0.866549
C 2.478792 0.755296 0.239796
C 3.650876 0.885509 -0.808963
C 1.079468 0.722926 -0.423554
C -0.080529 0.593307 0.588171
C -1.470789 0.631954 -0.085327
C -2.627948 0.517961 0.932141
C 4.730909 1.902172 -0.379025
C 3.758450 -1.281334 0.225819
C -4.033978 0.573792 0.291037
C -5.158488 0.666680 1.363495
C -4.291987 -0.655011 -0.572986
H 2.518985 1.608652 0.946766
H 3.231995 1.184437 -1.789279
H 0.953019 1.660710 -1.004454
H 1.046095 -0.115365 -1.147763
H 0.015729 -0.360265 1.146992
H -0.010195 1.411029 1.337104
H -1.573552 1.576406 -0.660161
H -1.540895 -0.198250 -0.815393
H 2.305197 -0.896043 1.704300
H 4.943521 -0.790838 -1.446746
H -2.530515 -0.431693 1.493554
H -2.553182 1.342129 1.669910
H 5.130014 1.640150 0.617289
H 5.572303 1.916278 -1.096315
H 4.307118 2.922833 -0.331707
H -4.114747 1.459236 -0.368692
H -5.021289 1.582288 1.965737
H -5.121328 -0.202343 2.045115
H -6.156864 0.704612 0.895008
H -5.441058 -1.227018 -2.068523


