%chk=000049714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049714

0 1
 O   0.5194000      0.9270000      0.1433000    
 O    1.826000       2.097100      -1.364200    
 O   -6.560000      -1.409500      0.1231000    
 N   -4.284200      0.2966000      1.5000000E-02
 C    2.850000       1.064400      0.5033000    
 C    3.691700       2.191900       1.018400    
 C    2.775400       1.452400       1.948500    
 C    3.519900     -0.2124000      0.1476000    
 C    1.690100       1.427300     -0.3504000    
 C    4.574300     -0.2210000     -0.7695000    
 C    3.097800      -1.412300      0.7266000    
 C  -0.6473000       1.225600     -0.6108000    
 C   -1.851900      0.5966000      7.6099999E-02
 C   -3.144300      0.8939000     -0.6775000    
 C   -5.544600      0.6533000     -0.6509000    
 C   -4.146400      -1.165000      8.2099997E-02
 C    5.201800      -1.420500      -1.105400    
 C    3.725400      -2.611800      0.3906000    
 C   -6.717700      9.2000002E-03  8.2300000E-02
 C   -5.352800      -1.766800      0.7972000    
 C    4.777400      -2.615900     -0.5254000    
 H    4.757300       2.048800       1.157600    
 H    3.423300       3.209600      0.7577000    
 H    1.901500       1.982500       2.310200    
 H    3.237700      0.8219000       2.699600    
 H    4.913100      0.7015000      -1.234200    
 H    2.276200      -1.426400       1.438100    
 H  -0.5396000      0.8230000      -1.624900    
 H  -0.7740000       2.313200     -0.6684000    
 H   -1.913300      0.9590000       1.110300    
 H   -1.637000     -0.4748000      0.1389000    
 H   -3.070500      0.5290000      -1.710300    
 H   -3.275900       1.982200     -0.7265000    
 H   -5.534200      0.3107000      -1.693900    
 H   -5.680600       1.740800     -0.6517000    
 H   -4.066900      -1.590900     -0.9264000    
 H   -3.273500      -1.476900      0.6606000    
 H    6.020000      -1.424200      -1.819600    
 H    3.394200      -3.542800      0.8411000    
 H   -7.651500      0.2249000     -0.4467000    
 H   -6.818300      0.3960000       1.103800    
 H   -5.408000      -1.441400       1.843300    
 H   -5.282100      -2.859300      0.7940000    
 H    5.265600      -3.550000     -0.7874000    


%chk=000049714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049714

0 1
O 0.724723 1.129540 0.272695
O 1.573504 3.294286 0.141023
O -6.294227 -1.737077 -1.060540
N -4.034813 -0.145847 -0.140036
C 3.114458 1.406623 0.397530
C 4.241250 2.149091 -0.372225
C 4.155672 2.291463 1.137492
C 3.181983 -0.093507 0.545470
C 1.764368 2.056754 0.259350
C 3.297182 -0.926873 -0.594760
C 3.112361 -0.693506 1.827423
C -0.651194 1.692780 0.134247
C -1.601609 0.499782 0.027304
C -3.057625 0.969976 -0.178131
C -5.432453 0.354171 -0.040527
C -3.909493 -1.071723 -1.296586
C 3.341190 -2.332059 -0.458217
C 3.155828 -2.097996 1.968609
C -6.408864 -0.825741 0.089947
C -4.910469 -2.230327 -1.155746
C 3.269286 -2.922728 0.824986
H 5.035287 1.523307 -0.789090
H 3.936495 3.006892 -0.977379
H 3.794291 3.243439 1.535105
H 4.890189 1.761395 1.750142
H 3.351853 -0.469654 -1.589998
H 3.022851 -0.054818 2.714306
H -0.678879 2.340650 -0.762116
H -0.861275 2.322346 1.019157
H -1.546282 -0.110647 0.946359
H -1.266520 -0.136147 -0.812121
H -3.132380 1.549246 -1.136895
H -3.327056 1.668795 0.638809
H -5.716441 0.962385 -0.937146
H -5.517560 1.002501 0.852588
H -4.096597 -0.538472 -2.264118
H -2.887089 -1.488931 -1.328144
H 3.431151 -2.965531 -1.348101
H 3.100943 -2.549218 2.965891
H -7.455386 -0.478580 0.089927
H -6.197719 -1.380259 1.029782
H -4.661818 -2.823974 -0.249592
H -4.890505 -2.882580 -2.044461
H 3.304891 -4.012731 0.932989


