%chk=000129966.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129966

0 1
 O    1.077900      -1.707000     -0.4434000    
 O   -2.373700       1.615500     -0.2629000    
 O   0.4424000      -3.914600     -0.6803000    
 O   -1.270800      -2.162200       1.829000    
 O   -2.301400      -4.030500       1.076800    
 O   -4.074900      0.3019000      -1.072300    
 N   -2.179700     -0.6196000     -0.1002000    
 C    2.749800     -0.8156000       1.011700    
 C    3.364800     -2.2299999E-02 -0.1324000    
 C    1.799500      0.2081000       1.616500    
 C    2.840300       1.289700     -0.1602000    
 C    1.879900       1.431000      0.9129000    
 C    2.033300      -2.073200      0.5363000    
 C    4.318200     -0.4348000      -1.049100    
 C   0.9571000      5.9799999E-02   2.706300    
 C    3.263000       2.198100      -1.117100    
 C    1.105900       2.515400       1.293000    
 C    4.743800      0.4807000      -2.013300    
 C   0.1773000       1.152700       3.088900    
 C    4.220800       1.784100      -2.047500    
 C   0.2503000       2.368300       2.388500    
 C   -2.073500      -2.590500      -1.576700    
 C  -0.6517000      -2.200700      -1.980300    
 C   -2.529200      -2.009800     -0.2332000    
 C   0.3415000      -2.731400     -0.9775000    
 C   -3.097500       2.786200     -0.6583000    
 C   -3.305100       2.741800      -2.171500    
 C   -2.257900       4.000300     -0.2668000    
 C   -4.437800       2.800100      7.5300001E-02
 C   -2.031700      -2.842300      0.9381000    
 C   -2.980900      0.4209000     -0.5304000    
 H    3.529200      -1.055600       1.744700    
 H    1.533200      -2.571400       1.375100    
 H    2.753800      -2.772900      9.5399998E-02
 H    4.727800      -1.438600      -1.023700    
 H   0.9043000     -0.8737000       3.255400    
 H    2.869900       3.208500      -1.155100    
 H    1.151900       3.461000      0.7631000    
 H    5.489500      0.1837000      -2.746000    
 H  -0.4936000       1.064200       3.939300    
 H    4.567600       2.479600      -2.807300    
 H  -0.3663000       3.205400       2.705400    
 H   -2.746600      -2.219600      -2.360800    
 H   -2.175600      -3.682800      -1.573200    
 H  -0.3997000      -2.631400      -2.955800    
 H  -0.5487000      -1.115100      -2.084100    
 H   -3.624100      -2.073900     -0.1830000    
 H   -1.288800     -0.3834000      0.3270000    
 H   -2.378800       2.459200      -2.685200    
 H   -4.081100       2.048300      -2.504600    
 H   -3.608700       3.727000      -2.545100    
 H   -1.271300       3.960400     -0.7426000    
 H   -2.081600       4.018000      0.8144000    
 H   -2.742300       4.939900     -0.5519000    
 H   -5.188000       2.118900     -0.3339000    
 H   -4.889500       3.798100      2.6200000E-02
 H   -4.308900       2.542400       1.133100    
 H  -0.9719000      -2.733500       2.568300    


%chk=000129966-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129966

0 1
O 1.648593 -2.070420 -0.824645
O -2.954821 1.651962 0.043267
O 0.086381 -2.995039 0.646637
O -2.264994 -2.163264 2.334433
O -2.795319 -4.118228 1.198877
O -4.067060 0.142127 -1.421678
N -2.601298 -0.579081 0.248702
C 3.230826 -0.920198 0.710618
C 3.890789 -0.011808 -0.330097
C 2.122280 -0.024583 1.273236
C 3.250878 1.262467 -0.350170
C 2.154507 1.253336 0.637791
C 2.737061 -2.279509 0.167434
C 4.975627 -0.281300 -1.180380
C 1.152814 -0.314490 2.247644
C 3.700051 2.275586 -1.224979
C 1.216070 2.249373 0.984953
C 5.425608 0.734335 -2.061858
C 0.206392 0.684567 2.592224
C 4.792118 2.001869 -2.081561
C 0.240612 1.955542 1.966305
C -2.075770 -2.534252 -1.294821
C -0.647764 -1.993704 -1.492273
C -2.842028 -1.995291 -0.036271
C 0.350536 -2.420473 -0.435417
C -3.545709 2.901876 -0.593960
C -3.103868 2.987462 -2.068898
C -2.906088 4.018534 0.249805
C -5.079483 2.880940 -0.435649
C -2.615652 -2.884370 1.185662
C -3.279058 0.387801 -0.463806
H 3.965449 -1.166427 1.508454
H 2.357757 -2.923971 0.980087
H 3.538824 -2.798646 -0.383675
H 5.475342 -1.257470 -1.170432
H 1.105565 -1.301795 2.719262
H 3.215903 3.258449 -1.245308
H 1.234110 3.232614 0.501163
H 6.270141 0.539641 -2.732163
H -0.559322 0.470128 3.346084
H 5.153475 2.775947 -2.767828
H -0.506529 2.709845 2.235383
H -2.664417 -2.232268 -2.178847
H -2.079301 -3.637719 -1.244757
H -0.257556 -2.302986 -2.479321
H -0.655798 -0.886466 -1.507237
H -3.917956 -2.106563 -0.282385
H -2.015637 -0.309368 1.042623
H -2.003177 2.929617 -2.144565
H -3.548894 2.172202 -2.660436
H -3.429251 3.954516 -2.494437
H -1.806003 3.985001 0.162228
H -3.178543 3.904632 1.313487
H -3.259333 5.004694 -0.100849
H -5.521257 2.054162 -1.013613
H -5.501862 3.835697 -0.799632
H -5.355630 2.765078 0.627613
H -2.096627 -2.807511 3.072972


