%chk=000079855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079855

0 1
 O  -7.3100001E-02   2.661400     -1.1000000E-03
 O   7.3200002E-02  -2.661500     -3.8000001E-03
 O   -2.772900       2.509000     -2.9000000E-03
 O    2.773400      -2.509000      7.9999998E-04
 N    2.379900       1.508000      1.9999999E-04
 N   -2.380100      -1.508200     -1.4000000E-03
 C   -1.293200      0.6326000     -1.5000000E-03
 C    1.293100     -0.6328000     -7.9999998E-04
 C    1.259700      0.7099000     -6.9999998E-04
 C   -1.259900     -0.7101000     -1.6000000E-03
 C  -4.1299999E-02   1.433200     -1.5000000E-03
 C   4.1099999E-02  -1.433300     -1.9000000E-03
 C   -3.848100      0.4155000     -3.9999999E-04
 C    3.848100     -0.4155000      6.9999998E-04
 C    3.671000      0.9753000      6.9999998E-04
 C   -3.671000     -0.9752000     -1.9999999E-04
 C   -2.647400       1.289900     -1.7000000E-03
 C    2.647400      -1.290000     -1.9999999E-04
 C   -5.130800      0.9718000      6.9999998E-04
 C    5.130900     -0.9717000      7.9999998E-04
 C    4.797400       1.804300      1.4000000E-03
 C   -4.797500      -1.804300      1.3000000E-03
 C   -6.244900      0.1332000      2.2000000E-03
 C    6.244900     -0.1331000      1.3000000E-03
 C    6.079100       1.251600      1.6000000E-03
 C   -6.079200      -1.251400      2.6000000E-03
 C   -7.617200      0.7179000      3.8000001E-03
 C    7.617300     -0.7175000      1.6000000E-03
 H    2.258200       2.512500      9.9999997E-05
 H   -2.258400      -2.512700     -8.9999998E-04
 H   -5.268400       2.049900     -1.3000000E-03
 H    5.268500      -2.049900      2.4999999E-03
 H    4.685100       2.885700      2.0000001E-03
 H   -4.685200      -2.885700      1.1000000E-03
 H    6.941600       1.913000      4.0000002E-03
 H   -6.941800      -1.912800      1.9000000E-03
 H   -7.642800       1.660800      0.5606000    
 H   -7.946200      0.9064000      -1.022900    
 H   -8.335400      4.4100001E-02  0.4832000    
 H    7.643100      -1.662700     -0.5512000    
 H    8.335100     -4.5200001E-02 -0.4807000    
 H    7.946600     -0.9018000       1.029000    


%chk=000079855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079855

0 1
O 0.074239 2.750620 0.083771
O -0.074244 -2.750554 -0.082223
O -2.818373 2.663414 0.076353
O 2.818371 -2.663344 -0.074893
N 2.336230 1.452084 0.048476
N -2.336235 -1.452016 -0.046951
C -1.314262 0.742480 0.021043
C 1.314258 -0.742413 -0.019517
C 1.228125 0.662451 0.022857
C -1.228130 -0.662384 -0.021323
C -0.059097 1.481905 0.045388
C 0.059092 -1.481838 -0.043841
C -3.817402 0.468563 0.009305
C 3.817398 -0.468491 -0.007888
C 3.639837 0.944928 0.034768
C -3.639842 -0.944857 -0.033312
C -2.645585 1.404959 0.038933
C 2.645581 -1.404891 -0.037426
C -5.135346 0.987542 0.023454
C 5.135343 -0.987466 -0.022101
C 4.761214 1.814838 0.062510
C -4.761221 -1.814765 -0.061050
C -6.264873 0.143999 -0.003188
C 6.264869 -0.143918 0.004469
C 6.052893 1.268722 0.047362
C -6.052899 -1.268646 -0.045968
C -7.674000 0.704807 0.013613
C 7.673997 -0.704712 -0.012813
H 2.130602 2.466331 0.078623
H -2.130608 -2.466264 -0.077084
H -5.239328 2.077760 0.056078
H 5.239327 -2.077685 -0.054708
H 4.613927 2.900445 0.095364
H -4.613936 -2.900375 -0.093796
H 6.920074 1.939413 0.068912
H -6.920081 -1.939338 -0.067469
H -7.669329 1.806973 0.030759
H -8.245010 0.381619 -0.877054
H -8.233904 0.354474 0.901209
H 7.669354 -1.806933 -0.025930
H 8.232170 -0.357684 -0.902818
H 8.246699 -0.378151 0.875510


