%chk=000020013.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020013

0 1
 O    7.010500       1.370200     -2.7500000E-02
 O   -6.933600      -1.363100     -3.2800000E-02
 N    8.067400     -0.6995000      1.1800000E-02
 N   -8.096000      0.6517000      1.1100000E-02
 N    9.332900     -0.1501000      1.4700000E-02
 N   -9.332900      4.0600002E-02  1.9500000E-02
 C   0.6211000     -0.4631000      2.9500000E-02
 C  -0.6082000      0.4478000      1.5000000E-03
 C    1.915400      0.3536000      2.0500001E-02
 C   -1.934300     -0.3176000      2.1800000E-02
 C    3.146400     -0.5545000      1.0600000E-02
 C   -3.163400      0.5938000      1.9400001E-02
 C    4.439000      0.2614000     -3.1399999E-02
 C   -4.457000     -0.2212000     -3.2900002E-02
 C    5.668800     -0.6433000     -7.6000001E-03
 C   -5.685300      0.6847000     -3.0000000E-03
 C    6.968300      0.1426000     -9.8999999E-03
 C   -6.959200     -0.1341000     -1.5300000E-02
 H   0.5901000      -1.095000      0.9253000    
 H   0.5989000      -1.131500     -0.8396000    
 H  -0.5724000       1.077200     -0.8964000    
 H  -0.5747000       1.125100      0.8640000    
 H    1.945500       1.006000      0.9016000    
 H    1.932800       1.002700     -0.8634000    
 H   -1.973200     -0.9813000     -0.8509000    
 H   -1.964400     -0.9611000      0.9099000    
 H    3.106300      -1.221000     -0.8595000    
 H    3.139400      -1.189300      0.9050000    
 H   -3.119400       1.267300     -0.8450000    
 H   -3.154100       1.220600      0.9193000    
 H    4.455600      0.8842000     -0.9344000    
 H    4.469300      0.9463000      0.8252000    
 H   -4.468900     -0.8351000     -0.9423000    
 H   -4.484700     -0.9134000      0.8182000    
 H    5.653200      -1.273000      0.8902000    
 H    5.664600      -1.303800     -0.8830000    
 H   -5.689100       1.350200     -0.8738000    
 H   -5.680600       1.303800      0.9017000    
 H    7.982400      -1.711000      2.6300000E-02
 H   -8.059700       1.666100      2.8100001E-02
 H    9.810900     -0.5129000      0.8384000    
 H    9.825200     -0.5371000     -0.7895000    
 H   -9.824000      0.3783000      0.8462000    
 H   -9.847800      0.4041000     -0.7814000    


%chk=000020013-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020013

0 1
O 7.269878 0.711436 1.091801
O -7.278386 -0.629197 1.164551
N 8.062467 -0.670371 -0.595610
N -8.075225 0.624192 -0.618439
N 9.375085 -0.124521 -0.604679
N -9.388096 0.079996 -0.583013
C 0.597476 -0.479673 0.136211
C -0.607845 0.486783 0.106174
C 1.962278 0.244151 0.100890
C -1.972504 -0.237971 0.122183
C 3.167085 -0.722689 0.143382
C -3.177613 0.729109 0.102791
C 4.526654 0.007932 0.099555
C -4.537077 -0.003004 0.113814
C 5.727261 -0.967364 0.145610
C -5.737427 0.973207 0.091777
C 7.061955 -0.229181 0.267491
C -7.072308 0.247381 0.272071
H 0.539388 -1.108553 1.049212
H 0.529884 -1.176639 -0.725519
H -0.542715 1.125679 -0.799654
H -0.547436 1.174264 0.975714
H 2.028033 0.946796 0.957396
H 2.023268 0.866447 -0.816457
H -2.035182 -0.920177 -0.751404
H -2.036047 -0.882025 1.023780
H 3.096232 -1.432832 -0.707543
H 3.110531 -1.336655 1.066876
H -3.110064 1.379425 -0.795001
H -3.118412 1.404921 0.981853
H 4.588262 0.625479 -0.819162
H 4.614717 0.705087 0.953948
H -4.599869 -0.685159 -0.757901
H -4.623500 -0.636677 1.016471
H 5.625941 -1.616832 1.038478
H 5.719960 -1.633566 -0.740139
H -5.733152 1.572621 -0.840487
H -5.633020 1.686784 0.933984
H 7.896844 -1.427295 -1.260361
H -7.910220 1.327038 -1.340225
H 9.812479 -0.237206 0.321487
H 9.342922 0.873858 -0.857757
H -9.824925 0.266765 0.331347
H -9.356477 -0.935467 -0.755298


