%chk=000002083.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002083

0 1
 O   0.4165000       2.706700      -1.257300    
 O   -3.845300      -1.060900       1.308500    
 O   -3.742000     -0.7456000      -2.063900    
 N    2.272700      3.2000002E-02  0.5169000    
 C    3.373800     -0.8535000      0.1237000    
 C    1.908800      0.9127000     -0.5800000    
 C   0.7603000       1.844200     -0.1737000    
 C    3.712600      -1.766800       1.306600    
 C    2.920600      -1.692800      -1.075600    
 C    4.595400     -8.2999999E-03 -0.2561000    
 C  -0.4745000       1.062900      0.2190000    
 C   -1.038100      0.1863000     -0.6919000    
 C   -1.013800       1.241800       1.481200    
 C   -2.176300     -0.5340000     -0.3292000    
 C   -2.733200     -0.3663000      0.9386000    
 C   -2.151900      0.5216000       1.843800    
 C   -2.785500      -1.480000      -1.310500    
 H    2.734800       1.571100     -0.8708000    
 H    1.611300      0.3822000      -1.488900    
 H    2.542900      0.5864000       1.329000    
 H    1.082700       2.487600      0.6548000    
 H    4.030600      -1.187100       2.181200    
 H    4.526500      -2.456200       1.054700    
 H    2.847700      -2.371500       1.603600    
 H    2.897500      -1.137200      -2.018800    
 H    1.933200      -2.140300     -0.9092000    
 H    3.618900      -2.523300      -1.239300    
 H    4.492200      0.5030000      -1.218800    
 H    5.481600     -0.6482000     -0.3514000    
 H    4.826300      0.7396000      0.5117000    
 H  -0.6189000      6.3199997E-02  -1.686500    
 H  -0.5700000       1.929800       2.194700    
 H    1.214400       3.208100      -1.497300    
 H   -2.580900      0.6569000       2.833000    
 H   -2.024800      -1.866500      -1.998700    
 H   -3.257700      -2.349100     -0.8425000    
 H   -4.336400      -1.352500      0.5240000    
 H   -4.122700      -1.358900      -2.715600    


%chk=000002083-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002083

0 1
O 0.349957 2.602882 -1.513097
O -3.624963 -1.821576 0.802751
O -4.867249 -0.731347 -1.233576
N 2.661545 0.479274 0.561568
C 3.605890 -0.680572 0.464418
C 2.058521 1.024640 -0.663295
C 0.726616 1.778145 -0.349359
C 4.105387 -0.951355 1.904765
C 2.841277 -1.925577 -0.051992
C 4.821337 -0.380262 -0.463572
C -0.437126 0.843064 -0.055171
C -1.447699 0.614576 -1.017213
C -0.513158 0.160896 1.186286
C -2.509722 -0.284183 -0.770142
C -2.579553 -0.945799 0.491240
C -1.575191 -0.723674 1.460469
C -3.513412 -0.600689 -1.856941
H 2.732405 1.738301 -1.207496
H 1.830014 0.203397 -1.363535
H 3.056723 1.222562 1.154692
H 0.908302 2.435509 0.531215
H 4.627057 -0.065548 2.318697
H 4.815966 -1.796683 1.919387
H 3.254233 -1.192167 2.565754
H 2.543026 -1.819937 -1.111087
H 1.928427 -2.083486 0.547726
H 3.481853 -2.823028 0.023443
H 4.485294 -0.137827 -1.488794
H 5.496036 -1.254235 -0.528680
H 5.407310 0.477049 -0.079982
H -1.395662 1.159259 -1.965545
H 0.270626 0.319868 1.933777
H 1.136497 3.138232 -1.789079
H -1.654262 -1.241112 2.421344
H -3.525346 0.203313 -2.615766
H -3.265728 -1.564713 -2.352750
H -4.374512 -1.635329 0.151402
H -5.531416 -1.004768 -1.912860


