%chk=000170674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170674

0 1
 O   -3.481700      0.3339000       2.044700    
 O    6.073900     -0.7999000     -0.8847000    
 N   -1.394100      0.9003000       2.883800    
 N    3.660000      8.4600002E-02  0.3368000    
 C  -2.0300001E-02 -5.7200000E-02   1.297000    
 C   -1.447500      8.5100003E-02  0.6312000    
 C    1.209000      0.1203000      0.4134000    
 C  -3.4899998E-02  0.9482000       2.440800    
 C   -2.268500      0.4235000       1.910900    
 C   -2.015300      -1.213800      1.2100000E-02
 C   -1.491100       1.249500     -0.3900000    
 C    2.496800     -0.1116000       1.199500    
 C    4.906600     -4.6399999E-02   1.103900    
 C    3.651200     -0.8740000     -0.7769000    
 C   -3.329100      -1.245100     -0.4481000    
 C   -1.380900      0.9858000      -1.756100    
 C   -1.210100      -2.346000     -8.1500001E-02
 C   -1.640200       2.563900      5.4699998E-02
 C    6.105500      0.1505000      0.1807000    
 C    4.880100     -0.6586000      -1.655700    
 C   -3.841400      -2.416600      -1.005900    
 C   -1.419700       2.034200      -2.675500    
 C   -1.722200      -3.517500     -0.6394000    
 C   -1.679200       3.612200     -0.8646000    
 C   -3.037900      -3.552700      -1.101500    
 C   -1.568900       3.347400      -2.229600    
 H   4.4500001E-02  -1.037500       1.792000    
 H    1.231200       1.128700     -1.7999999E-02
 H    1.106800     -0.5822000     -0.4161000    
 H   0.6096000      0.6538000       3.274100    
 H   0.2106000       1.970600       2.140700    
 H    2.494700      -1.116800       1.640900    
 H    2.555400      0.6074000       2.024400    
 H   -1.702500       1.227600       3.793800    
 H    4.964200      -1.038900       1.569700    
 H    4.945200      0.7056000       1.900300    
 H    2.790800     -0.7418000      -1.437300    
 H    3.645600      -1.904300     -0.3984000    
 H   -3.971300     -0.3704000     -0.3965000    
 H   -1.230900     -1.7200001E-02  -2.143300    
 H  -0.1779000      -2.377700      0.2433000    
 H   -1.740600       2.822300       1.102500    
 H    7.034600     -5.5999998E-03  0.7382000    
 H    6.134400       1.165300     -0.2345000    
 H    4.907600      -1.411200      -2.450400    
 H    4.868400      0.3284000      -2.134300    
 H   -4.864700      -2.443200      -1.368700    
 H   -1.326300       1.829100      -3.737900    
 H   -1.096000      -4.401500     -0.7181000    
 H   -1.797300       4.635000     -0.5183000    
 H   -3.436100      -4.464300      -1.537400    
 H   -1.597700       4.163800      -2.945200    


%chk=000170674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170674

0 1
O -3.626168 0.422715 2.044201
O 6.231853 -0.744392 -0.930330
N -1.509897 0.907745 2.933537
N 3.667702 -0.024218 0.248813
C -0.056811 -0.060053 1.350061
C -1.490509 0.080948 0.695127
C 1.156087 0.141358 0.420752
C -0.090342 0.922361 2.555192
C -2.371761 0.464497 1.943857
C -2.020234 -1.212627 0.050273
C -1.527619 1.260392 -0.316228
C 2.489736 -0.160696 1.139100
C 4.937718 0.101408 1.012120
C 3.782827 -1.126475 -0.742120
C -3.360978 -1.239235 -0.422085
C -1.252654 1.024804 -1.688994
C -1.228169 -2.376576 -0.116278
C -1.771020 2.595985 0.097997
C 6.109927 0.348505 0.048597
C 4.972376 -0.870285 -1.682057
C -3.892452 -2.395866 -1.028085
C -1.216815 2.087900 -2.616490
C -1.757795 -3.536300 -0.729999
C -1.739365 3.661703 -0.829296
C -3.092952 -3.552329 -1.187843
C -1.458444 3.414585 -2.191322
H -0.009743 -1.078997 1.785524
H 1.186312 1.176988 0.036841
H 1.045388 -0.515142 -0.462198
H 0.547636 0.580142 3.389344
H 0.242429 1.937367 2.254003
H 2.442423 -1.181982 1.605109
H 2.623818 0.561067 1.968517
H -1.869595 1.254443 3.823682
H 5.150614 -0.818574 1.614445
H 4.852654 0.955745 1.710720
H 2.858721 -1.183139 -1.345224
H 3.924013 -2.114154 -0.231971
H -3.987196 -0.352012 -0.292400
H -1.082258 -0.000161 -2.035644
H -0.188749 -2.400090 0.226976
H -2.010469 2.811581 1.145588
H 7.071473 0.371060 0.587737
H 5.955041 1.312061 -0.483172
H 5.124275 -1.718120 -2.370361
H 4.788937 0.057859 -2.265063
H -4.932034 -2.395510 -1.374580
H -1.005549 1.879577 -3.671520
H -1.125054 -4.423439 -0.848652
H -1.942603 4.682933 -0.487314
H -3.505062 -4.450361 -1.661810
H -1.437263 4.240003 -2.911578


