%chk=000018446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018446

0 1
 O   -1.269800     -0.1691000     -0.6075000    
 O    1.022300     -0.1059000      -1.973400    
 O  -0.1626000      -1.908400      0.4111000    
 N   -4.967500     -0.4901000     -0.4665000    
 C   -2.515200     -0.7894000     -0.3066000    
 C   -2.618600     -0.9613000       1.205600    
 C   -3.663600      6.9100000E-02 -0.8447000    
 C   -4.002100      -1.467300       1.592300    
 C   -5.100800     -0.5869000      0.9939000    
 C    1.117100     -4.9199998E-02 -0.5355000    
 C   -6.052300      0.3148000      -1.027500    
 C  -0.1470000     -0.8398000     -0.1883000    
 C    2.414300     -0.7109000     -6.4000003E-02
 C    1.048100       1.407800     -7.2499998E-02
 C    2.423700      -1.344900       1.157000    
 C    1.566800       2.384300     -0.8914000    
 C    3.520600     -0.6465000     -0.8793000    
 C   0.4697000       1.685600       1.144600    
 C    1.029600      -1.446000      -2.423400    
 C    3.605600      -1.948100       1.586800    
 C    1.503900       3.712300     -0.4697000    
 C    4.702500      -1.249900     -0.4495000    
 C   0.4065000       3.013800       1.566100    
 C    4.744900      -1.900700      0.7836000    
 C   0.9238000       4.027100      0.7590000    
 H   -2.547300      -1.770100     -0.8010000    
 H   -2.427900      1.1000000E-03   1.698900    
 H   -1.903000      -1.660300       1.639200    
 H   -3.553500       1.102800     -0.4881000    
 H   -3.573100      0.1158000      -1.937700    
 H   -4.126300      -2.500300       1.243400    
 H   -4.098900      -1.484200       2.683900    
 H   -6.070600      -1.031100       1.249300    
 H   -5.066400      0.4087000       1.455900    
 H   -6.041600       1.344200     -0.6514000    
 H   -7.024700     -0.1299000     -0.7885000    
 H   -5.982500      0.3459000      -2.120600    
 H    1.580000      -1.348600       1.837500    
 H    2.030800       2.160900      -1.846600    
 H    3.519000     -0.1290000      -1.833300    
 H   7.5400002E-02  0.9116000       1.794800    
 H    0.000000      -1.786400      -2.582800    
 H    1.552400      -2.185100      -1.809700    
 H    1.504400      -1.454100      -3.410500    
 H    3.643500      -2.441900       2.553500    
 H    1.908700       4.501200      -1.096900    
 H    5.591300      -1.208400      -1.072200    
 H  -4.1999999E-02   3.258700       2.524500    
 H    5.666500      -2.366500       1.120300    
 H   0.8760000       5.061000       1.088000    


%chk=000018446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018446

0 1
O -1.238642 -0.144668 -0.176127
O 1.278569 -0.304425 -2.152422
O -0.291651 -2.257168 -0.381675
N -4.970947 -0.156901 -0.339656
C -2.602781 -0.758119 -0.033675
C -2.852086 -1.150421 1.430963
C -3.581063 0.329560 -0.501169
C -4.332220 -1.569332 1.603767
C -5.278457 -0.471454 1.077316
C 1.148619 -0.238989 -0.662770
C -5.954278 0.761532 -0.945834
C -0.172382 -1.005524 -0.357978
C 2.386555 -0.852056 0.015701
C 1.032212 1.259792 -0.328434
C 2.338091 -1.869399 0.998047
C 0.721782 2.209748 -1.329374
C 3.649424 -0.323825 -0.364500
C 1.208018 1.693797 1.008317
C 1.586384 -1.626049 -2.728423
C 3.530994 -2.344099 1.593902
C 0.594524 3.577403 -0.996884
C 4.837768 -0.804476 0.220304
C 1.071021 3.058370 1.341524
C 4.782767 -1.817763 1.207968
C 0.763617 4.007552 0.338954
H -2.657906 -1.645835 -0.689285
H -2.632618 -0.273184 2.071499
H -2.174080 -1.969566 1.728333
H -3.385353 1.264281 0.085016
H -3.399063 0.558176 -1.566411
H -4.526424 -2.504563 1.045173
H -4.544545 -1.765919 2.671397
H -6.328130 -0.814100 1.136995
H -5.185241 0.441056 1.725742
H -5.971279 1.772524 -0.465209
H -6.966711 0.327192 -0.864422
H -5.726162 0.897542 -2.018041
H 1.380599 -2.309709 1.288507
H 0.590703 1.869298 -2.359330
H 3.685197 0.467335 -1.121994
H 1.461992 0.967408 1.788899
H 0.789989 -2.360383 -2.510418
H 2.551803 -2.012956 -2.352687
H 1.651538 -1.442640 -3.812649
H 3.478483 -3.131418 2.354372
H 0.360218 4.306261 -1.781407
H 5.803659 -0.387324 -0.086028
H 1.209990 3.381563 2.379546
H 5.704527 -2.190139 1.669085
H 0.663078 5.068411 0.595572


