%chk=000048542.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048542

0 1
 O   0.9671000      -2.168000      -1.286000    
 O   -1.058600      0.6627000       1.865800    
 O    3.024600       1.709100      5.2400000E-02
 N    1.947100     -0.1813000     -0.6898000    
 N   0.9354000       1.232400      0.8851000    
 C  -0.4169000     -0.5399000     -0.1398000    
 C   -1.261200      -1.715400      0.3734000    
 C   -1.176400      0.1763000      -1.270800    
 C   0.8824000      -1.068600     -0.7392000    
 C  -0.2233000      0.4763000      0.9814000    
 C  -0.5270000      -2.461300       1.455400    
 C   -2.434600      0.7925000     -0.7561000    
 C    2.031100      0.9804000      6.8300001E-02
 C   -2.689700       2.104900     -0.8000000    
 H   -1.499700      -2.410700     -0.4415000    
 H   -2.218000      -1.389600      0.7957000    
 H   -1.429500     -0.5310000      -2.071500    
 H  -0.5402000      0.9407000      -1.737300    
 H   0.4074000      -2.910500       1.107400    
 H  -0.2981000      -1.833400       2.321600    
 H   -1.152200      -3.284600       1.819500    
 H    2.784600     -0.4482000      -1.199700    
 H    1.027100       2.007600       1.535700    
 H   -3.221100      0.1415000     -0.3855000    
 H   -3.636800       2.492700     -0.4411000    
 H   -1.965000       2.812100      -1.187900    


%chk=000048542-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048542

0 1
O 0.863509 -2.003159 -1.569049
O -1.027200 0.759417 1.916879
O 3.234716 1.556947 0.251424
N 1.994874 -0.202813 -0.661656
N 1.043506 1.196374 0.987535
C -0.432110 -0.516615 -0.100252
C -1.226120 -1.738628 0.448810
C -1.263292 0.225061 -1.246772
C 0.842570 -0.997023 -0.814893
C -0.182353 0.497040 1.025536
C -0.455250 -2.565458 1.499173
C -2.554396 0.865146 -0.791757
C 2.164285 0.903717 0.192310
C -2.879765 2.160232 -1.028391
H -1.489537 -2.379881 -0.411726
H -2.160172 -1.361738 0.899523
H -1.467450 -0.560168 -2.001830
H -0.623438 0.988423 -1.730090
H 0.476298 -2.988894 1.081971
H -0.204563 -1.958311 2.387967
H -1.075313 -3.412125 1.843719
H 2.819790 -0.468203 -1.209961
H 1.169800 1.948876 1.672655
H -3.273582 0.219870 -0.270482
H -3.842399 2.574593 -0.710456
H -2.193908 2.844020 -1.544687


