%chk=000110838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110838

0 1
 O   -2.954900      0.5832000      -2.041000    
 O   -3.580500     -0.1845000       2.485000    
 O   -4.630400       2.735200     -9.6100003E-02
 O   -2.833000       4.100000     -0.2315000    
 O    1.567200       1.902900     -0.6219000    
 O    8.192800      -1.612100      0.2454000    
 O    8.173900      0.1416000      -1.075100    
 N   -3.088100      0.5888000      0.3139000    
 N    2.112600      1.7000001E-02  0.6715000    
 N    7.589200     -0.6615000     -0.3084000    
 C   -2.483200       1.860900      0.6145000    
 C   -1.049800       1.938100      7.9000004E-02
 C  -0.1485000      0.8471000      0.6594000    
 C   -3.258100      9.5700003E-02 -0.9680000    
 C   -3.568700     -0.2864000       1.272400    
 C   -3.913000      -1.203200     -0.8158000    
 C   -4.100800      -1.434100      0.5390000    
 C   -3.312300       3.008000      5.6000002E-02
 C    1.275900      0.9990000      0.1560000    
 C   -4.312400      -2.112600      -1.773600    
 C   -4.697900      -2.586400       1.007400    
 C   -4.920400      -3.287500      -1.322300    
 C   -5.111400      -3.522000      5.4800000E-02
 C    3.495100     -0.1543000      0.4242000    
 C    4.167600      -1.201500       1.032100    
 C    4.147000      0.7288000     -0.4207000    
 C    5.530600      -1.370300      0.7883000    
 C    5.509900      0.5599000     -0.6645000    
 C    6.201800     -0.4896000     -6.0100000E-02
 H   -2.470200       1.995800       1.703200    
 H  -0.6260000       2.918500      0.3367000    
 H   -1.035000       1.891900      -1.016900    
 H  -0.1384000      0.9062000       1.754000    
 H  -0.5028000     -0.1487000      0.3711000    
 H   -4.165400      -1.932800      -2.832100    
 H   -4.844400      -2.767300       2.065800    
 H   -5.251300      -4.032400      -2.041300    
 H   -5.586900      -4.444500      0.3778000    
 H    1.697400     -0.6648000       1.303100    
 H   -5.124600       3.502300     -0.4561000    
 H    3.654000      -1.892900       1.694300    
 H    3.682200       1.563900     -0.9234000    
 H    6.037100      -2.199100       1.276400    
 H    6.001300       1.264700      -1.330700    


%chk=000110838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000110838

0 1
O -3.462045 1.021364 -2.025121
O -3.182881 -0.640677 2.368515
O -4.605470 2.702505 0.403089
O -2.738966 4.068306 0.180286
O 1.403823 0.800563 -1.214488
O 8.636791 -0.921622 0.728786
O 8.283154 -0.491437 -1.485335
N -3.126261 0.453417 0.259501
N 2.354880 0.282181 0.869756
N 7.870000 -0.608808 -0.265814
C -2.427568 1.667997 0.691221
C -0.985652 1.763925 0.136370
C -0.074855 0.676959 0.742618
C -3.612487 0.228507 -1.065659
C -3.481476 -0.605561 1.148192
C -4.304956 -1.097390 -1.012846
C -4.231114 -1.593947 0.312763
C -3.231630 2.939078 0.370049
C 1.279278 0.609035 0.027244
C -4.953635 -1.815584 -2.027835
C -4.803774 -2.824763 0.666522
C -5.536284 -3.062374 -1.680138
C -5.462997 -3.558923 -0.353832
C 3.714274 0.073808 0.532049
C 4.604714 -0.273353 1.589923
C 4.210736 0.196433 -0.797738
C 5.964966 -0.497301 1.335614
C 5.574279 -0.028887 -1.052616
C 6.439206 -0.373125 0.009686
H -2.393662 1.597489 1.800544
H -0.595930 2.770618 0.366770
H -0.998120 1.669215 -0.962576
H 0.053032 0.838599 1.831151
H -0.554806 -0.316391 0.625930
H -5.004542 -1.422744 -3.047972
H -4.742946 -3.197893 1.693499
H -6.051336 -3.651627 -2.446122
H -5.923229 -4.523634 -0.115633
H 2.124394 0.168014 1.860275
H -5.091742 3.547321 0.203095
H 4.225145 -0.368175 2.614675
H 3.524710 0.465533 -1.601780
H 6.662546 -0.764422 2.133221
H 5.979637 0.058775 -2.064037


