%chk=000051469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051469

0 1
 O    2.463200      -1.827200      3.7200000E-02
 O   -5.441900      -1.954800     -0.6590000    
 N   0.6012000      0.3537000     -0.2159000    
 C   -1.608200       1.124300     -0.3487000    
 C   -1.112900      0.8631000      -1.792300    
 C  -0.2599000       1.390900      0.3545000    
 C   0.3216000      0.3423000      -1.652400    
 C   -2.481100       2.389500     -0.2677000    
 C   -2.419400     -7.4500002E-02  0.1766000    
 C    2.009100      0.5597000      8.4299996E-02
 C   -2.874600       2.691500       1.172200    
 C    2.863400     -0.5694000     -0.5052000    
 C   -3.576500     -0.4757000     -0.4882000    
 C   -1.994100     -0.7549000       1.316100    
 C   -3.757300       3.926800       1.249500    
 C   -4.311100      -1.561500     -1.1900000E-02
 C   -2.728700      -1.840600       1.792500    
 C    4.332000     -0.3694000     -0.2015000    
 C   -3.887200      -2.244000       1.128400    
 C    5.114200      0.3491000      -1.089300    
 C    4.862300     -0.9095000      0.9575000    
 C    6.468300      0.5331000     -0.8096000    
 C    6.216400     -0.7253000       1.237300    
 C    7.019400     -4.1000000E-03  0.3538000    
 C   -5.818200      -1.213000      -1.818300    
 H   -1.728300      0.1558000      -2.357200    
 H   -1.090000       1.798500      -2.366400    
 H   0.1209000       2.387000      8.5199997E-02
 H  -0.2925000       1.349300       1.446600    
 H   0.9936000      0.9955000      -2.223200    
 H   0.4008000     -0.6732000      -2.054700    
 H   -3.382400       2.287600     -0.8849000    
 H   -1.936300       3.250500     -0.6780000    
 H    2.357300       1.533300     -0.2855000    
 H    2.130900      0.5657000       1.175600    
 H   -1.989200       2.867700       1.792100    
 H   -3.428700       1.862200       1.623000    
 H    2.740700     -0.6401000      -1.592400    
 H   -3.868200      8.3300002E-02  -1.369900    
 H   -1.105400     -0.4888000       1.874900    
 H   -4.028400       4.134900       2.289400    
 H   -4.681800       3.785600      0.6804000    
 H   -3.239400       4.805700      0.8523000    
 H   -2.399600      -2.372400       2.680600    
 H   -4.455500      -3.090400       1.504400    
 H    2.988100      -2.520700     -0.3987000    
 H    4.692900      0.7728000      -1.996300    
 H    4.256100      -1.461400       1.669500    
 H    7.093400       1.095400      -1.497100    
 H    6.645000      -1.140200       2.145000    
 H    8.073500      0.1402000      0.5722000    
 H   -6.051800     -0.1716000      -1.571900    
 H   -6.738600      -1.663200      -2.204600    
 H   -5.066300      -1.294900      -2.610600    


%chk=000051469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051469

0 1
O 1.927839 -0.267530 1.497258
O -4.992111 -2.228938 -0.902436
N 0.829768 1.488919 -0.757319
C -1.567988 1.453532 -0.422344
C -1.191301 1.550987 -1.947105
C -0.204753 1.823355 0.249251
C 0.237621 0.973937 -2.002559
C -2.663017 2.495081 -0.043408
C -2.037206 0.006517 -0.127225
C 2.207381 1.209690 -0.410642
C -3.041640 2.515286 1.454907
C 2.523444 -0.223494 0.139286
C -3.293661 -0.417372 -0.647967
C -1.260731 -0.927107 0.600281
C -4.124843 3.568434 1.772866
C -3.761366 -1.732649 -0.430283
C -1.738697 -2.245126 0.811048
C 4.017688 -0.497523 0.177115
C -2.983618 -2.659489 0.307398
C 4.634021 -1.272119 -0.838384
C 4.826807 0.062725 1.201053
C 6.031248 -1.482356 -0.835778
C 6.223045 -0.149726 1.206210
C 6.830687 -0.921618 0.187602
C -5.840517 -1.317504 -1.669336
H -1.899238 1.004046 -2.592603
H -1.177079 2.614238 -2.253930
H -0.192536 2.914108 0.471293
H -0.043035 1.297825 1.207015
H 0.803305 1.328920 -2.888257
H 0.199865 -0.141497 -2.052530
H -3.580181 2.317146 -0.641317
H -2.294997 3.499450 -0.339472
H 2.841531 1.357601 -1.308474
H 2.557408 1.927565 0.357933
H -2.137498 2.722853 2.061439
H -3.397105 1.511159 1.756388
H 2.020168 -0.971542 -0.511412
H -3.900667 0.289563 -1.222541
H -0.283113 -0.645074 1.003731
H -4.380308 3.572934 2.848477
H -5.054299 3.365489 1.206977
H -3.784155 4.586126 1.502127
H -1.128203 -2.956374 1.379877
H -3.369180 -3.671340 0.464560
H 2.214497 -1.106870 1.939873
H 4.016724 -1.716548 -1.629790
H 4.352005 0.655737 1.990880
H 6.494704 -2.086795 -1.623771
H 6.838173 0.285278 2.002352
H 7.913812 -1.087609 0.193501
H -6.138967 -0.437165 -1.066176
H -6.732832 -1.905414 -1.931104
H -5.336099 -0.975521 -2.594832


