%chk=000048426.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048426

0 1
 O    1.761300      -1.923000     -0.3583000    
 O    5.206300       1.149900     -0.7260000    
 O    1.134600       2.518600      0.8535000    
 O   -2.633600       2.263800      0.2366000    
 O   -6.337400     -0.7348000      0.2912000    
 N    1.422600      0.2394000      0.4350000    
 N    3.176400       1.794800      0.1259000    
 C    3.720000     -0.5834000      8.5000001E-02
 C    4.461900      -1.547000     -0.8546000    
 C    4.154500     -0.8625000       1.535400    
 C    2.215700     -0.8363000      4.0000002E-03
 C    4.116900      0.8468000     -0.2418000    
 C   5.7999999E-03 -1.5600000E-02  0.6674000    
 C    4.144500      -1.245800      -2.302900    
 C    3.825100      -2.283200       1.934700    
 C    1.856800       1.576600      0.5160000    
 C  -0.8409000      0.1969000     -0.5852000    
 C   -2.312400     -3.8199998E-02 -0.3477000    
 C   -3.130000       1.008500      5.1399998E-02
 C   -2.821600      -1.314400     -0.5365000    
 C   -4.487900      0.7737000      0.2665000    
 C   -4.179600      -1.549300     -0.3214000    
 C   -5.012700     -0.5052000      8.0200002E-02
 C   -2.639300       3.135700     -0.8919000    
 C   -6.806900      -2.066100      8.3499998E-02
 H    5.547300      -1.479500     -0.7076000    
 H    4.184500      -2.592100     -0.6803000    
 H    3.657200     -0.1756000       2.232100    
 H    5.231900     -0.6899000       1.654300    
 H  -0.3441000      0.6435000       1.471500    
 H  -0.1158000      -1.043600       1.031100    
 H    3.464100       2.766600      5.0099999E-02
 H    4.632100      -1.990000      -2.943100    
 H    4.511200     -0.2693000      -2.629500    
 H    3.073400      -1.294400      -2.519500    
 H    4.119100      -2.429100       2.981300    
 H    4.380000      -3.031500       1.363700    
 H    2.757700      -2.512500       1.888400    
 H  -0.6670000       1.198700     -0.9924000    
 H  -0.4953000     -0.4775000      -1.380600    
 H   -2.180200      -2.134800     -0.8467000    
 H   -5.138400       1.586500      0.5802000    
 H   -4.520600      -2.566000     -0.4838000    
 H   -3.645200       3.542300      -1.036000    
 H   -2.315500       2.625500      -1.804700    
 H   -1.953100       3.962700     -0.6897000    
 H   -6.342000      -2.770400      0.7818000    
 H   -7.880900      -2.067100      0.2967000    
 H   -6.688000      -2.376500     -0.9601000    


%chk=000048426-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048426

0 1
O 1.708496 -1.881672 0.158217
O 5.522080 0.991315 -0.532395
O 1.326745 2.772707 0.280487
O -2.416325 2.147818 -0.273062
O -6.362438 -0.673839 -0.085403
N 1.502599 0.425115 0.295974
N 3.406147 1.812748 -0.101975
C 3.811690 -0.631515 0.176593
C 4.435261 -1.702608 -0.764396
C 4.309697 -0.833256 1.675826
C 2.278553 -0.756314 0.178409
C 4.327464 0.760855 -0.208442
C 0.026061 0.282387 0.461519
C 4.076346 -1.513277 -2.253250
C 4.041242 -2.223248 2.285283
C 2.025295 1.732462 0.176125
C -0.692943 0.038109 -0.893374
C -2.180908 -0.190759 -0.695428
C -3.049501 0.898382 -0.374648
C -2.760315 -1.470378 -0.801602
C -4.431220 0.705879 -0.181195
C -4.145184 -1.698763 -0.609595
C -4.975179 -0.597644 -0.299471
C -3.243056 3.317780 0.028610
C -6.986703 -1.993744 -0.192211
H 5.532059 -1.658297 -0.635787
H 4.085047 -2.692482 -0.426739
H 3.841895 -0.053124 2.309550
H 5.397612 -0.630238 1.664271
H -0.347041 1.212525 0.916084
H -0.147961 -0.572077 1.135502
H 3.760209 2.762596 -0.256858
H 4.544865 -2.307833 -2.860976
H 4.440019 -0.543871 -2.639124
H 2.984535 -1.574623 -2.414940
H 4.350692 -2.220358 3.346528
H 4.617527 -3.012288 1.772855
H 2.974074 -2.498151 2.236850
H -0.525794 0.922720 -1.535083
H -0.244944 -0.845436 -1.380759
H -2.109525 -2.318719 -1.044757
H -5.110979 1.527123 0.059249
H -4.546752 -2.710871 -0.705944
H -3.743020 3.213158 1.011191
H -4.004570 3.483775 -0.757910
H -2.540513 4.163267 0.055302
H -6.572095 -2.697708 0.555570
H -8.054494 -1.824126 0.010387
H -6.862252 -2.417603 -1.207855


