%chk=000166876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166876

0 1
 O   0.8333000      -4.732700      0.2706000    
 O   -6.661500       1.013500     -0.1731000    
 O    6.436300      0.8515000      9.9699996E-02
 N  -8.4500000E-02  -2.085300      5.2000001E-02
 N   -3.876600      0.7114000      5.4299999E-02
 N    3.650800       1.153600     -0.1225000    
 N   -2.006000     -0.6818000      5.4200001E-02
 N    1.538900      0.1603000     -4.7899999E-02
 N   -1.764600       1.704700     -1.8999999E-02
 N    1.780400       2.546800     -0.1212000    
 C  -0.8482000      -3.188000     -0.5479000    
 C   0.8134000      -2.470200       1.146400    
 C  -0.6452000     -0.8042000      2.7700000E-02
 C   -4.692700     -0.3531000     -0.5456000    
 C   -4.476800       2.049600      2.5699999E-02
 C   0.2006000      0.3098000     -2.2700001E-02
 C   9.0400003E-02  -4.341300     -0.8838000    
 C    1.663100      -3.662300      0.7203000    
 C   -2.485300      0.5702000      2.9200001E-02
 C    4.467900       2.217400      0.4773000    
 C    4.250900     -0.1848000     -9.5700003E-02
 C   -6.110500     -0.2903000      1.0700000E-02
 C   -5.906600       1.984300      0.5511000    
 C  -0.4263000       1.555200     -4.4199999E-02
 C    2.259600       1.294800     -9.6000001E-02
 C    5.884500       2.155400     -8.2500003E-02
 C    5.680000     -0.1192000     -0.6232000    
 C   0.4346000       2.634700     -9.3999997E-02
 H   -1.354700      -2.864700      -1.465100    
 H   -1.609200      -3.523800      0.1674000    
 H   0.1947000      -2.755700       2.006900    
 H    1.472800      -1.666100       1.482300    
 H   -4.294800      -1.352900     -0.3398000    
 H   -4.710500     -0.2104000      -1.633100    
 H   -4.473100       2.418400      -1.007300    
 H   -3.918900       2.758300      0.6486000    
 H  -0.4876000      -5.207000      -1.222100    
 H   0.7844000      -4.070000      -1.688600    
 H    2.367700      -3.386700     -7.3700003E-02
 H    2.247800      -4.026200       1.571100    
 H    4.488200       2.073000       1.564500    
 H    4.069700       3.217500      0.2736000    
 H    3.691700     -0.8931000     -0.7182000    
 H    4.248300     -0.5547000      0.9368000    
 H   -6.751000      -1.003500     -0.5178000    
 H   -6.133800     -0.5490000       1.076300    
 H   -5.928800       1.739600       1.620000    
 H   -6.395900       2.955100      0.4232000    
 H    5.905400       2.414400      -1.148100    
 H    6.526000       2.868400      0.4449000    
 H    6.169500      -1.090000     -0.4963000    
 H    5.700600      0.1256000      -1.692200    
 H   5.0400000E-02   3.650800     -0.1144000    


%chk=000166876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166876

0 1
O 0.761736 -4.896865 -0.291876
O -6.621860 0.982355 0.002746
O 6.496677 1.123248 -0.253617
N -0.218885 -2.231738 0.260388
N -3.809091 0.685274 -0.477633
N 3.737291 1.220855 0.534078
N -1.953014 -0.713116 -0.097968
N 1.634411 0.145660 0.382778
N -1.728872 1.717682 -0.089220
N 1.811617 2.584208 0.405427
C -1.166473 -3.344643 0.011698
C 1.063790 -2.698242 0.839931
C -0.632807 -0.916403 0.145984
C -4.704452 -0.473635 -0.632997
C -4.453278 1.997126 -0.677453
C 0.266986 0.247642 0.237070
C -0.492123 -4.400953 -0.884320
C 1.687754 -3.771950 -0.069642
C -2.451768 0.570577 -0.218803
C 4.593845 2.412486 0.698805
C 4.459268 -0.063302 0.550699
C -5.940020 -0.295799 0.273233
C -5.694171 2.107593 0.228551
C -0.381200 1.528280 0.128422
C 2.356700 1.299299 0.438920
C 5.730039 2.381427 -0.340138
C 5.604368 -0.025729 -0.482550
C 0.483627 2.671144 0.252001
H -2.070603 -2.933666 -0.462244
H -1.454133 -3.804801 0.979467
H 0.854761 -3.145444 1.834515
H 1.739294 -1.837421 0.950803
H -4.145262 -1.384645 -0.369262
H -5.035302 -0.548044 -1.690226
H -4.765222 2.094321 -1.738298
H -3.715095 2.781922 -0.448517
H -1.136862 -5.288524 -0.993874
H -0.287749 -3.964553 -1.886116
H 1.971552 -3.319951 -1.044864
H 2.577470 -4.217591 0.405422
H 5.031609 2.409389 1.718858
H 3.966485 3.309579 0.581860
H 3.749186 -0.871552 0.316137
H 4.881212 -0.240638 1.561987
H -6.692775 -1.076813 0.075091
H -5.630615 -0.336969 1.340373
H -5.381722 2.126216 1.295101
H -6.275160 3.015413 -0.003030
H 5.310422 2.494080 -1.363078
H 6.462352 3.182997 -0.149829
H 6.245808 -0.918133 -0.393754
H 5.179804 0.027599 -1.508775
H 0.039250 3.672051 0.216540


