%chk=000156796.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156796

1 1
 O    2.690200       2.480200       1.079200    
 O   -3.066700       2.674500      -1.192800    
 N   0.7651000      -2.016500      0.3013000    
 C   0.5869000     -0.4896000     -5.4699998E-02
 C   0.3170000      -2.703600      -1.018600    
 C    1.082900     -0.4614000      -1.485300    
 C    1.458700      0.4094000      0.8653000    
 C  -3.3300001E-02  -2.408200       1.531800    
 C   0.7725000      -1.770700      -2.149700    
 C  -0.8962000     -4.6599999E-02  2.7000001E-02
 C    2.224500      -2.452600      0.5619000    
 C    1.776900       1.776800      0.2360000    
 C   -1.512000      -2.105600       1.401400    
 C   -1.838900     -0.7833000      0.7691000    
 C    1.896700      0.4829000      -1.978200    
 C    2.376500       1.657100      -1.174700    
 C   -1.348300       1.112900     -0.6373000    
 C   -3.172400     -0.3392000      0.8546000    
 C   -2.672500       1.545800     -0.5424000    
 C   -3.584700      0.8231000      0.2114000    
 C    2.177000       2.614600       2.394800    
 H  -0.7723000      -2.794100      -1.017700    
 H   0.7546000      -3.705500      -1.075000    
 H    2.425900     -4.6599999E-02   1.097100    
 H   0.9466000      0.5187000       1.828600    
 H   0.3922000      -1.850200       2.374700    
 H   0.1252000      -3.478200       1.710400    
 H  -2.1800000E-02  -1.663400      -2.895200    
 H    1.660400      -2.180500      -2.643200    
 H    2.252200      -3.546800      0.5792000    
 H    2.867800      -2.071800     -0.2349000    
 H    2.539700      -2.076400       1.538700    
 H   0.8697000       2.386500      0.1741000    
 H   -1.955300      -2.148200       2.404600    
 H   -1.998400      -2.896100      0.8165000    
 H    2.290000      0.3790000      -2.985600    
 H    3.469900       1.591600      -1.101800    
 H    2.172600       2.582500      -1.727000    
 H  -0.6654000       1.693800      -1.251000    
 H   -3.903400     -0.9156000       1.417800    
 H   -4.618400       1.147100      0.2895000    
 H    2.353500       1.707800       2.980500    
 H    1.117300       2.890700       2.400700    
 H    2.732600       3.420400       2.884600    
 H   -2.304900       3.050200      -1.666500    


%chk=000156796-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156796

1 1
O 2.729655 2.424637 1.234967
O -3.100007 2.606198 -1.237145
N 0.738790 -2.101711 0.230290
C 0.622916 -0.527394 -0.034571
C 0.161285 -2.679264 -1.085908
C 1.162789 -0.486016 -1.457001
C 1.480420 0.304822 0.948741
C 0.001054 -2.514605 1.508100
C 0.680556 -1.728472 -2.203505
C -0.878434 -0.145003 0.036299
C 2.187529 -2.561806 0.360954
C 1.803353 1.711239 0.356904
C -1.495253 -2.202725 1.463850
C -1.820579 -0.862901 0.820479
C 2.019205 0.474561 -1.882826
C 2.519750 1.604134 -1.004501
C -1.294650 1.011660 -0.673663
C -3.149599 -0.371087 0.913258
C -2.624432 1.478665 -0.567933
C -3.558285 0.791732 0.245293
C 2.100373 3.075031 2.392981
H -0.933994 -2.648918 -1.008694
H 0.491842 -3.724116 -1.190575
H 2.461083 -0.170869 1.126636
H 0.963485 0.420902 1.917683
H 0.498246 -1.958387 2.321638
H 0.186477 -3.591813 1.661915
H -0.142538 -1.496480 -2.902346
H 1.491801 -2.187211 -2.793347
H 2.205961 -3.659746 0.278325
H 2.792229 -2.112421 -0.439903
H 2.586709 -2.268126 1.341624
H 0.862159 2.291805 0.260805
H -1.869366 -2.234665 2.504349
H -2.037869 -3.010089 0.932421
H 2.404827 0.439065 -2.911141
H 3.601573 1.459892 -0.804459
H 2.451139 2.570674 -1.538004
H -0.587283 1.528435 -1.332810
H -3.880097 -0.921485 1.517636
H -4.580660 1.171371 0.319832
H 1.710696 2.340817 3.126700
H 1.278054 3.747459 2.074853
H 2.896451 3.668317 2.866878
H -2.407163 3.038793 -1.795880


