%chk=000053122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053122

0 1
 O    1.460700      0.8640000       1.082400    
 O   -5.781900     -0.4452000     -0.5684000    
 O   -5.353000       1.339200      0.6362000    
 N    3.929600      0.1571000      7.3600002E-02
 N   0.4982000     -0.8849000     -0.1533000    
 N   -4.973800      0.3169000      1.5300000E-02
 C    2.870500     -0.8495000      0.1348000    
 C    5.227400     -0.4795000     -0.1483000    
 C    3.650100       1.129700     -0.9821000    
 C    1.543800     -0.1700000      0.4272000    
 C    5.568200      -1.447900      0.9655000    
 C    4.734000       2.184400      -1.066100    
 C  -0.8835000     -0.5814000     -0.1108000    
 C   -1.780900      -1.417800     -0.7535000    
 C   -1.308900      0.5457000      0.5725000    
 C   -3.587500      1.2800000E-02 -2.7799999E-02
 C   -3.142600      -1.118600     -0.7117000    
 C   -2.670500      0.8449000      0.6144000    
 H    2.819800      -1.427800     -0.7961000    
 H    3.011600      -1.547200      0.9672000    
 H    5.269900     -0.9965000      -1.115400    
 H    6.031600      0.2632000     -0.1375000    
 H    3.548600      0.6407000      -1.959900    
 H    2.715100       1.669000     -0.8023000    
 H    5.418100      -1.000000       1.953900    
 H    4.990900      -2.375600      0.9056000    
 H    6.623900      -1.733700      0.8949000    
 H    4.977300       2.598700     -8.1699997E-02
 H    5.650200       1.811500      -1.534400    
 H    4.387300       3.016300      -1.690100    
 H   0.7324000      -1.731800     -0.6666000    
 H   -1.444700      -2.301300      -1.288900    
 H  -0.6633000       1.237100       1.093400    
 H   -3.828000      -1.789600      -1.223300    
 H   -2.982200       1.734200       1.156400    


%chk=000053122-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053122

0 1
O 1.478369 0.959444 0.769918
O -5.975836 -0.647807 -0.246217
O -5.527180 1.198338 1.020248
N 4.036521 0.044443 -0.224798
N 0.417584 -0.784446 -0.393968
N -5.154266 0.179752 0.316058
C 2.864181 -0.822215 -0.274294
C 5.315705 -0.702517 -0.117912
C 4.036131 1.104927 -1.268162
C 1.547582 -0.097785 0.092265
C 5.518658 -1.375973 1.253320
C 4.880904 2.330825 -0.874887
C -0.951542 -0.499177 -0.186945
C -1.902440 -1.378170 -0.784474
C -1.404486 0.612460 0.581620
C -3.708215 -0.054228 0.142684
C -3.277822 -1.161337 -0.624144
C -2.783363 0.828776 0.743426
H 2.724974 -1.329237 -1.272252
H 2.992083 -1.635638 0.466517
H 5.417155 -1.464769 -0.933992
H 6.131282 0.025510 -0.270084
H 4.378105 0.702489 -2.256152
H 2.992036 1.441020 -1.399827
H 5.428136 -0.627177 2.058571
H 4.783004 -2.178360 1.447212
H 6.522889 -1.835398 1.306087
H 4.518165 2.737093 0.084118
H 5.953232 2.087288 -0.766271
H 4.796384 3.115445 -1.649363
H 0.616559 -1.604762 -0.974723
H -1.557014 -2.235206 -1.375708
H -0.672750 1.283572 1.032991
H -4.021011 -1.824067 -1.074312
H -3.155312 1.673986 1.328549


