%chk=000050392.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050392

0 1
 O  -4.4399999E-02  -2.260100     -0.5124000    
 O   -1.428600      -2.532500       1.313500    
 N    2.194300     -0.5571000     -0.1844000    
 C    2.035600     -0.1363000       1.214800    
 C    3.352400      9.8399997E-02 -0.8083000    
 C    1.851300       1.378500       1.317900    
 C    3.210800       1.621000     -0.7713000    
 C    3.002600       2.124000      0.6524000    
 C    2.322100      -2.011500     -0.2698000    
 C    1.069400      -2.692400      0.2578000    
 C   -2.488900     -0.2391000     -0.7666000    
 C   -2.319300      -1.747800     -0.8080000    
 C   -1.247400      -2.225800      0.1432000    
 C   -2.868900      0.2168000      0.6186000    
 C   -1.315200      0.4480000      -1.415900    
 C   -2.741900       1.422600       1.187700    
 C  -0.8677000       1.701700      -1.266700    
 C   -2.262600       2.635600      0.5783000    
 C   -1.453700       2.756000     -0.4807000    
 H    2.898300     -0.4462000       1.819000    
 H    1.140200     -0.5668000       1.671700    
 H    3.433700     -0.2097000      -1.857700    
 H    4.284400     -0.1967000     -0.3084000    
 H    1.789300       1.669900       2.372800    
 H   0.9060000       1.671500      0.8564000    
 H    2.365800       1.928900      -1.398100    
 H    4.107400       2.085000      -1.197900    
 H    2.799700       3.200600      0.6456000    
 H    3.921100       1.972000       1.232500    
 H    3.202700      -2.374600      0.2744000    
 H    2.443100      -2.293300      -1.323600    
 H   0.9371000      -2.557900       1.335800    
 H    1.172500      -3.772100      9.4499998E-02
 H   -3.356200     -2.8700000E-02  -1.409200    
 H   -2.092900      -2.110600      -1.819100    
 H   -3.250900      -2.256000     -0.5248000    
 H   -3.358100     -0.5345000       1.240000    
 H  -0.7691000     -0.1500000      -2.146500    
 H   -3.107100       1.543900       2.205800    
 H  -9.7000003E-03   2.007300      -1.861500    
 H   -2.593500       3.548900       1.069100    
 H   -1.172100       3.760400     -0.7915000    


%chk=000050392-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050392

0 1
O -0.008141 -2.699592 -0.557736
O -0.751065 -1.874158 1.499379
N 2.257925 -0.750767 -0.109190
C 2.406691 -0.505512 1.353081
C 3.185567 0.100206 -0.904964
C 2.169873 0.978347 1.698045
C 2.966985 1.598786 -0.618039
C 3.115599 1.894609 0.891104
C 2.407509 -2.174998 -0.478741
C 1.293895 -3.091529 0.046249
C -2.317332 -0.038585 -0.538575
C -2.130836 -1.580200 -0.534847
C -0.925400 -2.039214 0.267706
C -2.637029 0.561909 0.821338
C -1.099883 0.729303 -1.028797
C -3.178573 1.824659 0.919322
C -1.217472 2.038691 -1.439881
C -3.276339 2.779426 -0.171568
C -2.388087 2.876249 -1.242334
H 3.431471 -0.807968 1.699726
H 1.666526 -1.121454 1.891880
H 3.013404 -0.110793 -1.977734
H 4.255565 -0.159747 -0.682839
H 2.317049 1.122645 2.785565
H 1.117623 1.233268 1.468531
H 1.948915 1.883253 -0.947610
H 3.689960 2.192643 -1.210051
H 2.898864 2.958905 1.100941
H 4.165693 1.709093 1.200782
H 3.381119 -2.606528 -0.119084
H 2.415304 -2.239570 -1.583238
H 1.198302 -3.069085 1.145066
H 1.473166 -4.126089 -0.291875
H -3.165241 0.187361 -1.218655
H -2.024509 -1.945508 -1.569316
H -3.032255 -2.041665 -0.088950
H -2.429230 -0.038546 1.715738
H -0.123608 0.220829 -1.040248
H -3.530580 2.165724 1.903254
H -0.349356 2.515328 -1.918261
H -4.012887 3.587760 -0.058773
H -2.487583 3.753813 -1.896999


