%chk=000081352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081352

0 1
 O  -0.9118000      -2.109400      2.1800000E-02
 N   -1.572700      0.1323000      4.4999998E-03
 C   -2.999600     -0.1872000     -5.5000000E-03
 C   -1.248900       1.554600      1.0000000E-03
 C  -0.6431000     -0.9087000      1.7600000E-02
 C   -3.373800     -0.9762000       1.246100    
 C   -3.335200     -0.9727000      -1.269200    
 C   -1.822100       2.230900       1.243100    
 C   -1.792100       2.195900      -1.272100    
 C   0.7868000     -0.5615000      1.1000000E-02
 C    1.450400     -0.3842000       1.215400    
 C    1.445400     -0.4165000      -1.200300    
 C    3.480600      9.5500000E-02 -3.1999999E-03
 C    2.805500     -5.3599998E-02   1.208300    
 C    2.800600     -8.6099997E-02  -1.207500    
 C    4.930100      0.4469000     -1.1000000E-02
 H   -3.608500      0.7201000     -1.2800000E-02
 H  -0.1667000       1.703200      1.2500000E-02
 H   -4.462200      -1.091000       1.303900    
 H   -2.949500      -1.983500       1.270800    
 H   -3.047900     -0.4543000       2.152300    
 H   -2.985500     -0.4499000      -2.165900    
 H   -4.421500      -1.088700      -1.358500    
 H   -2.910600      -1.980100      -1.284200    
 H   -1.474100       3.268500       1.299300    
 H   -2.915400       2.261900       1.260400    
 H   -1.486900       1.720200       2.152600    
 H   -1.430600       1.666200      -2.160500    
 H   -1.446800       3.233600      -1.344800    
 H   -2.884700       2.222700      -1.319100    
 H   0.9310000     -0.4980000       2.162800    
 H   0.9222000     -0.5554000      -2.142400    
 H    3.324600      8.3499998E-02   2.153200    
 H    3.315900      2.5500000E-02  -2.157800    
 H    5.194100       1.054400      0.8614000    
 H    5.537400     -0.4636000     -1.2000001E-03
 H    5.189800       1.032700     -0.8994000    


%chk=000081352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081352

0 1
O -0.951605 -2.135344 -0.000397
N -1.641590 0.102036 -0.009237
C -3.094996 -0.278725 -0.008894
C -1.300321 1.558406 -0.016086
C -0.669484 -0.890690 -0.003351
C -3.488999 -1.040558 1.279201
C -3.487006 -1.051472 -1.291047
C -1.801506 2.269301 1.263896
C -1.801669 2.257371 -1.302535
C 0.787060 -0.460998 -0.001759
C 1.488040 -0.300120 1.218874
C 1.500920 -0.335322 -1.219038
C 3.591842 0.124738 0.004656
C 2.869180 -0.007602 1.218782
C 2.881970 -0.042421 -1.212721
C 5.085229 0.401507 0.008572
H -3.645156 0.680776 -0.013292
H -0.198357 1.610429 -0.016545
H -4.578464 -1.229299 1.281925
H -2.961625 -2.006028 1.328754
H -3.238043 -0.450564 2.179235
H -3.234501 -0.469261 -2.195688
H -4.576474 -1.240165 -1.293943
H -2.959432 -2.017258 -1.331373
H -1.473178 3.324569 1.258913
H -2.904631 2.263306 1.336010
H -1.392239 1.783219 2.167197
H -1.392752 1.762725 -2.201328
H -1.472946 3.312500 -1.307479
H -2.904799 2.251149 -1.374320
H 0.953283 -0.411478 2.169389
H 0.976359 -0.474601 -2.171521
H 3.394814 0.114137 2.173907
H 3.417641 0.052092 -2.165344
H 5.387817 0.985145 0.895860
H 5.662594 -0.543459 0.024903
H 5.397225 0.959961 -0.891576


