%chk=000042998.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042998

0 1
 O   -2.581800      0.9281000      0.3361000    
 O   -2.117400       3.150500      0.4073000    
 N    1.437500      0.1535000     -0.6217000    
 N   0.4940000       2.824100     -0.1971000    
 C    2.525600       1.054500     -0.3668000    
 C    3.854200      0.3005000     -0.3843000    
 C   0.1334000      0.4456000     -0.3105000    
 C    3.890400     -0.7804000      0.6968000    
 C  -0.8237000     -0.6750000     -0.1896000    
 C  -0.2996000       1.710000     -0.1119000    
 C   -2.149800     -0.3917000      0.1311000    
 C  -0.4919000      -2.027000     -0.3776000    
 C    5.195900      -1.559100      0.6629000    
 C   -1.718400       2.003400      0.2275000    
 C   -3.123400      -1.385600      0.2668000    
 C   -1.454900      -3.036000     -0.2457000    
 C   -2.770200      -2.715400      7.6600000E-02
 H    2.442300       1.550900      0.6071000    
 H    2.618400       1.788200      -1.172500    
 H    4.676000       1.009600     -0.2286000    
 H    4.006400     -0.1607000      -1.368400    
 H    1.644100     -0.7466000      -1.037200    
 H    3.067000      -1.491900      0.5719000    
 H    3.772100     -0.3204000       1.684900    
 H   0.5194000      -2.339700     -0.6225000    
 H    5.203800      -2.320700       1.448900    
 H    5.327100      -2.063200     -0.2999000    
 H    6.052100     -0.8963000      0.8239000    
 H   -4.147900      -1.127000      0.5180000    
 H   -1.171400      -4.074300     -0.3942000    
 H   -3.514200      -3.499400      0.1786000    
 H    1.182800       2.885000     -0.9309000    
 H   8.6099997E-02   3.707200      9.1300003E-02


%chk=000042998-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042998

0 1
O -2.119787 0.645271 1.021912
O -1.857847 2.914481 1.334394
N 1.405220 0.593398 -1.399577
N 0.358514 3.057892 -0.290571
C 2.710400 1.153850 -0.961560
C 3.702461 0.079230 -0.450451
C 0.246054 0.608619 -0.599032
C 3.264017 -0.622081 0.855094
C -0.525657 -0.613335 -0.380742
C -0.230042 1.813232 -0.057195
C -1.710892 -0.550802 0.411086
C -0.169433 -1.890599 -0.909097
C 4.282692 -1.681385 1.327867
C -1.411607 1.864921 0.805921
C -2.520303 -1.678164 0.649703
C -0.970194 -3.023822 -0.680855
C -2.153373 -2.920332 0.096189
H 2.518144 1.885760 -0.158697
H 3.173028 1.698134 -1.809850
H 4.683328 0.573108 -0.287464
H 3.869222 -0.679011 -1.245768
H 1.488713 -0.195490 -2.044795
H 2.275686 -1.099137 0.710383
H 3.125983 0.142069 1.646492
H 0.751992 -2.004550 -1.492174
H 3.952095 -2.164575 2.265047
H 4.414320 -2.475080 0.567845
H 5.274729 -1.227617 1.513256
H -3.415699 -1.559790 1.266838
H -0.673912 -3.991663 -1.098627
H -2.776549 -3.802590 0.274035
H 0.923326 3.188881 -1.127132
H -0.120628 3.861876 0.117826


