%chk=000016051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016051

0 1
 O   -1.150800      0.1032000      0.8823000    
 O  -0.2123000       1.801000     -0.3570000    
 N   -5.122300      0.2142000     -0.4345000    
 C   -2.444000      0.6473000      0.6510000    
 C   -3.480600     -0.2158000       1.363100    
 C   -2.731800      0.6901000     -0.8471000    
 C   -4.902700      0.2255000       1.019000    
 C   -4.176600       1.104200      -1.123300    
 C   -6.500500      0.5922000     -0.7466000    
 C    1.218800      0.1225000      0.6967000    
 C  -0.1021000      0.7838000      0.3157000    
 C    1.317100      -1.340100      0.2836000    
 C    2.435500      0.9237000      0.2513000    
 C    2.084800      -2.197000       1.044700    
 C    2.973300      0.6795000     -0.9951000    
 C   0.6357000      -1.762600     -0.8389000    
 C    2.961100       1.867700       1.108400    
 C    2.175000      -3.536400      0.6664000    
 C    4.087300       1.413000      -1.403000    
 C   0.7259000      -3.102100      -1.217200    
 C    4.075300       2.601200      0.7004000    
 C    1.495600      -3.989200     -0.4645000    
 C    4.638400       2.373900     -0.5553000    
 H   -2.481900       1.661000       1.071600    
 H   -3.322000     -0.1664000       2.447200    
 H   -3.337100      -1.270000       1.090300    
 H   -2.537400     -0.2977000      -1.287000    
 H   -2.094800       1.384900      -1.397500    
 H   -5.601900     -0.4656000       1.505300    
 H   -5.089200       1.224500       1.434900    
 H   -4.326700       2.147900     -0.8167000    
 H   -4.345900       1.054800      -2.206100    
 H   -7.205900     -0.1009000     -0.2747000    
 H   -6.680300      0.5351000      -1.825900    
 H   -6.737800       1.608100     -0.4104000    
 H    1.212600      0.1345000       1.798600    
 H    2.617800      -1.852800       1.926000    
 H    2.559800     -4.0800001E-02  -1.691200    
 H   4.4799998E-02  -1.091100      -1.453400    
 H    2.528200       2.054000       2.086500    
 H    2.774800      -4.226900       1.252100    
 H    4.522700       1.240300      -2.383000    
 H   0.2005000      -3.453800      -2.100200    
 H    4.503800       3.350200       1.360000    
 H    1.566800      -5.031900     -0.7597000    
 H    5.504900       2.946000     -0.8736000    


%chk=000016051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016051

0 1
O -1.185259 0.221669 0.645714
O -0.277775 0.482691 -1.487105
N -5.412537 0.664332 0.363994
C -2.507343 0.744662 0.154377
C -3.230091 1.334444 1.369313
C -3.320147 -0.398191 -0.475059
C -4.646925 1.788162 0.954186
C -4.733522 0.110289 -0.831590
C -6.816674 1.027872 0.092114
C 1.113992 -0.416412 0.373813
C -0.155714 0.134189 -0.288688
C 1.581630 -1.737697 -0.259415
C 2.202711 0.675703 0.371327
C 2.196727 -2.700496 0.581835
C 2.915580 1.010167 -0.806791
C 1.457240 -2.020618 -1.643656
C 2.484656 1.377454 1.569645
C 2.681693 -3.917643 0.055931
C 3.895539 2.026448 -0.782396
C 1.938509 -3.241449 -2.169170
C 3.467210 2.393347 1.595627
C 2.553799 -4.193457 -1.325270
C 4.176539 2.720868 0.417833
H -2.295244 1.520975 -0.606733
H -2.661692 2.190351 1.777002
H -3.308894 0.563088 2.156671
H -3.404874 -1.224532 0.254118
H -2.814778 -0.774635 -1.382117
H -5.192442 2.156345 1.842418
H -4.564658 2.648420 0.235704
H -4.658089 0.875432 -1.650765
H -5.339591 -0.727164 -1.223341
H -7.302673 1.362498 1.026153
H -7.364799 0.143669 -0.279547
H -6.925221 1.845420 -0.665805
H 0.846455 -0.617229 1.425225
H 2.300688 -2.492145 1.653961
H 2.704781 0.476312 -1.738752
H 0.973665 -1.291874 -2.302685
H 1.932591 1.128911 2.484684
H 3.154019 -4.649138 0.721411
H 4.441267 2.276409 -1.699324
H 1.831660 -3.447823 -3.240299
H 3.677899 2.925128 2.530410
H 2.926217 -5.138594 -1.736200
H 4.939769 3.507043 0.434442


