%chk=000087790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087790

0 1
 O    1.731800      -1.691800      0.2893000    
 O    3.536700      0.4275000      8.1000002E-03
 O  -0.7491000      -1.300300     -0.9114000    
 O    2.381300       2.926100     -0.3848000    
 N   -5.061100       1.789200      0.7577000    
 C    3.133300      -1.920500      0.2439000    
 C    1.006800      -2.791700     -0.2473000    
 C    3.850900     -0.7080000      0.8052000    
 C  -0.4776000      -2.489900     -0.1718000    
 C   -1.804300     -0.5442000     -0.5029000    
 C    4.166800       1.601000      0.5026000    
 C   -2.901300      -1.150300      0.1093000    
 C   -1.788900      0.8370000     -0.6965000    
 C    3.795600       2.773400     -0.3850000    
 C   -3.967500       1.005800      0.3341000    
 C   -3.983000     -0.3754000      0.5277000    
 C   -2.870500       1.612100     -0.2781000    
 H    3.385100      -2.809100      0.8331000    
 H    3.435200      -2.077800     -0.7981000    
 H    1.233700      -3.702700      0.3174000    
 H    1.300600      -2.931500      -1.294100    
 H    4.933000     -0.8785000      0.7995000    
 H    3.517000     -0.5246000       1.833000    
 H  -0.7331000      -2.359600      0.8879000    
 H   -1.050800      -3.322000     -0.5946000    
 H    5.254200       1.468800      0.5106000    
 H    3.816100       1.787600       1.524300    
 H   -2.965300      -2.224600      0.2542000    
 H  -0.9364000       1.314700      -1.171800    
 H    4.112700       2.602800      -1.418500    
 H    4.247300       3.700500     -2.1700000E-02
 H   -4.834900     -0.8598000      0.9982000    
 H   -2.846300       2.687600     -0.4344000    
 H   -5.856900       1.349900       1.201100    
 H   -5.051000       2.790700      0.6172000    
 H    1.996700       2.088900     -0.6966000    


%chk=000087790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087790

0 1
O 2.013297 -2.466357 0.848879
O 3.636599 -0.156630 -0.141926
O -0.133083 -0.510434 -0.213708
O 1.460938 1.817974 -0.635144
N -5.250222 1.779276 0.662697
C 3.471297 -2.330329 0.924252
C 1.463320 -2.327820 -0.511886
C 3.910547 -0.876136 1.105737
C -0.008111 -1.965541 -0.389800
C -1.447258 -0.003616 -0.001213
C 3.812284 1.302933 -0.047235
C -2.604483 -0.813137 0.073133
C -1.560410 1.401002 0.138188
C 2.849743 1.933628 -1.055852
C -3.999680 1.186453 0.441779
C -3.868084 -0.220042 0.293412
C -2.820283 1.984220 0.356995
H 3.777342 -2.910660 1.813919
H 3.963878 -2.765217 0.029217
H 1.553302 -3.301667 -1.041736
H 2.009262 -1.552215 -1.078865
H 4.997279 -0.837791 1.350878
H 3.339080 -0.419154 1.941199
H -0.440464 -2.493386 0.483479
H -0.557053 -2.266505 -1.306830
H 4.868070 1.569962 -0.271236
H 3.554956 1.655363 0.973643
H -2.549146 -1.900179 -0.035702
H -0.663367 2.023746 0.060928
H 3.016463 1.471763 -2.052953
H 3.051121 3.016776 -1.134998
H -4.757708 -0.859473 0.350396
H -2.894015 3.073938 0.461138
H -6.091143 1.214375 0.724057
H -5.336203 2.785392 0.764698
H 1.188735 0.860786 -0.532738


