%chk=000096955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096955

0 1
 O    4.704900      0.6318000      2.2900000E-02
 O    4.690800      -1.602500      0.5767000    
 N   -1.462400     -0.2743000     -0.7065000    
 C    2.662000     -0.4978000     -1.3800000E-02
 C  -7.8599997E-02 -0.3493000     -0.4732000    
 C    1.866100      -1.632300      0.1438000    
 C    2.084300      0.7112000     -0.4016000    
 C   0.4923000      -1.557900     -8.6599998E-02
 C   0.7106000      0.7856000     -0.6319000    
 C   -3.658900      0.1485000      0.2265000    
 C    4.093900     -0.5751000      0.2286000    
 C   -2.212100      3.3199999E-02  0.3164000    
 C   -4.404100      0.4794000       1.358400    
 C   -4.301600     -7.1900003E-02 -0.9917000    
 C    6.120700      0.6837000      0.2293000    
 C   -5.791900      0.5897000       1.272000    
 C   -5.689400      3.8500000E-02  -1.078000    
 C   -6.434500      0.3693000      5.3900000E-02
 C    6.607800       2.090400     -4.5299999E-02
 H    2.295900      -2.583900      0.4455000    
 H    2.664400       1.619700     -0.5364000    
 H  -0.1205000      -2.446600      3.7599999E-02
 H   0.2682000       1.730900     -0.9346000    
 H   -1.756800      0.2204000       1.307500    
 H   -3.917700      0.6540000       2.314600    
 H   -3.747100     -0.3309000      -1.889700    
 H    6.347400      0.4073000       1.264900    
 H    6.613200     -1.9700000E-02 -0.4511000    
 H   -6.372300      0.8472000       2.153200    
 H   -6.190200     -0.1330000      -2.026400    
 H   -7.515000      0.4552000     -1.3400000E-02
 H    7.688500       2.166200      0.1032000    
 H    6.370000       2.386800      -1.072300    
 H    6.108700       2.806700      0.6156000    


%chk=000096955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096955

0 1
O 4.863798 0.668429 -0.042126
O 4.792581 -1.607187 0.467004
N -1.503991 -0.158175 -0.447373
C 2.718739 -0.400566 0.017967
C -0.105248 -0.229405 -0.247025
C 1.907471 -1.550866 0.207898
C 2.103130 0.835616 -0.314162
C 0.511292 -1.472372 0.074842
C 0.706684 0.922509 -0.450242
C -3.813648 0.141029 0.279669
C 4.188898 -0.542090 0.173671
C -2.357379 0.076522 0.510514
C -4.678631 0.403551 1.375680
C -4.366801 -0.057085 -1.015933
C 6.348611 0.612938 0.098213
C -6.075328 0.467478 1.183218
C -5.760205 0.006821 -1.205535
C -6.618318 0.268951 -0.107364
C 6.869100 2.021208 -0.170738
H 2.395626 -2.497395 0.462890
H 2.730188 1.719502 -0.460268
H -0.114868 -2.360072 0.209920
H 0.228788 1.870654 -0.716749
H -2.022205 0.240769 1.556444
H -4.253729 0.555908 2.375998
H -3.683846 -0.258672 -1.847747
H 6.589797 0.258675 1.116990
H 6.738991 -0.128876 -0.622085
H -6.737459 0.669878 2.031892
H -6.184460 -0.146519 -2.203866
H -7.702424 0.317497 -0.258880
H 7.970761 2.036887 -0.081114
H 6.598961 2.353926 -1.187608
H 6.451725 2.741033 0.554106


