%chk=000178973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178973

0 1
 O    5.142300     -0.3773000     -0.2960000    
 O   -2.825900      -2.311800      0.5160000    
 O   -2.652900       2.447600     -8.5800000E-02
 O  -0.9758000      0.1787000       1.777300    
 N  -0.3939000     -0.1041000     -0.4781000    
 C    1.020200     -0.1733000     -0.4317000    
 C   -2.704100      6.7800000E-02  0.2243000    
 C   -1.290600      6.1900001E-02  0.5841000    
 C    3.783700     -0.3090000     -0.3409000    
 C    1.662100     -7.0400000E-02  0.7903000    
 C    1.727900     -0.3424000      -1.609400    
 C   -3.423400      -1.127200      0.2028000    
 C   -3.336500       1.268400     -9.8499998E-02
 C    3.054700     -0.1387000      0.8360000    
 C    3.120300     -0.4109000      -1.563600    
 C   -4.775200      -1.121400     -0.1412000    
 C   -4.688300       1.274100     -0.4425000    
 C   -5.407700      7.9200000E-02 -0.4639000    
 C    5.794600      0.3438000      0.7482000    
 C    7.168600      0.7651000      0.2726000    
 H  -0.7975000     -0.1913000      -1.408800    
 H    1.170100      5.5199999E-02   1.743000    
 H    1.220800     -0.4229000      -2.566800    
 H    3.531500     -8.3499998E-02   1.810300    
 H    3.683000     -0.5437000      -2.483600    
 H   -5.341600      -2.048600     -0.1596000    
 H   -5.194100       2.201700     -0.6965000    
 H   -6.460300      8.3499998E-02 -0.7318000    
 H    5.246900       1.255300       1.018900    
 H    5.888900     -0.3027000       1.627600    
 H    7.702800       1.312800       1.054100    
 H    7.762200     -0.1094000     -1.3900000E-02
 H    7.091300       1.401400     -0.6152000    
 H   -1.888800      -2.174900      0.7290000    
 H   -3.256200       3.167900     -0.3368000    


%chk=000178973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178973

0 1
O 5.207877 0.678786 -0.338578
O -3.277797 -1.729784 1.985298
O -2.471868 1.248310 -1.806957
O -0.952977 -1.112295 1.387647
N -0.440343 0.306891 -0.397697
C 0.979495 0.336867 -0.300351
C -2.795173 -0.238624 0.092720
C -1.340769 -0.367790 0.390414
C 3.815460 0.519868 -0.265148
C 1.728649 -0.365939 0.677481
C 1.669959 1.132217 -1.259679
C -3.720035 -0.956503 0.943957
C -3.363826 0.536647 -0.962546
C 3.137489 -0.273387 0.692832
C 3.069222 1.224399 -1.244145
C -5.120862 -0.879965 0.723675
C -4.749862 0.614402 -1.184533
C -5.623463 -0.102473 -0.329342
C 6.033985 -0.035952 0.654954
C 7.488974 0.309735 0.349954
H -0.866372 0.862958 -1.155633
H 1.201551 -0.975138 1.412764
H 1.103127 1.681102 -2.021998
H 3.688131 -0.826864 1.458891
H 3.606010 1.833375 -1.977490
H -5.776531 -1.440453 1.394559
H -5.148595 1.220944 -2.006802
H -6.704217 -0.046084 -0.495996
H 5.748174 0.290374 1.676283
H 5.851782 -1.127101 0.568683
H 8.158375 -0.198199 1.067871
H 7.760352 -0.011772 -0.670012
H 7.654249 1.397956 0.426336
H -2.230194 -1.658162 1.982846
H -2.960877 1.752555 -2.500357


