%chk=000087005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087005

0 1
 O    2.299200     -0.7375000      0.5436000    
 O   -2.411200     -0.5684000      0.5296000    
 O    1.254900      -1.705500      -1.266600    
 O   -1.428500      -1.606400      -1.275400    
 N   0.2732000       4.394200     -0.1816000    
 C  -5.1500000E-02 -0.5524000      0.4443000    
 C   2.4900001E-02  0.9756000      0.6422000    
 C   0.1839000       1.806900     -0.6374000    
 C    1.215000      -1.078100     -0.2169000    
 C   -1.349200     -0.9780000     -0.2282000    
 C    3.567400      -1.167200      3.8600001E-02
 C   -3.703400     -0.9216000      2.5599999E-02
 C   0.2318000       3.251500     -0.3792000    
 C    4.655600     -0.7144000      0.9886000    
 C   -4.762000     -0.3987000      0.9730000    
 H  -7.7699997E-02  -1.036400       1.431700    
 H   0.8622000       1.209600       1.313800    
 H  -0.8720000       1.320000       1.174200    
 H  -0.6493000       1.594000      -1.317000    
 H    1.100800       1.511700      -1.160100    
 H    3.577400      -2.259800     -4.1999999E-02
 H    3.733900     -0.7275000     -0.9511000    
 H   -3.842200     -0.4769000     -0.9661000    
 H   -3.780400      -2.011900     -5.0200000E-02
 H    5.641200      -1.026400      0.6318000    
 H    4.646000      0.3755000       1.093700    
 H    4.492800      -1.131500       1.987900    
 H   -5.764700     -0.6511000      0.6170000    
 H   -4.625400     -0.8206000       1.974100    
 H   -4.685600      0.6891000       1.073500    


%chk=000087005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087005

0 1
O 1.684149 -0.544583 1.038952
O -1.760220 -0.690005 0.668479
O 0.948913 -0.596723 -1.171616
O -2.423068 1.348476 -0.240396
N 0.990732 4.639797 -2.837793
C -0.061518 0.993549 0.442476
C 0.284248 2.350588 -0.231021
C 0.109144 2.359774 -1.776685
C 0.875324 -0.130008 -0.010656
C -1.532454 0.604171 0.227216
C 2.667160 -1.634639 0.725608
C -3.162472 -1.207644 0.527570
C 0.594205 3.617360 -2.366331
C 3.419729 -1.932008 2.017240
C -3.146381 -2.653409 1.008809
H 0.078456 1.104935 1.534263
H 1.326162 2.613693 0.027747
H -0.371028 3.124683 0.205920
H -0.960758 2.237694 -2.024659
H 0.651450 1.511326 -2.232973
H 2.100178 -2.505010 0.349916
H 3.329346 -1.276983 -0.083253
H -3.825480 -0.562222 1.131334
H -3.454953 -1.112398 -0.533229
H 4.157722 -2.735554 1.841059
H 3.959393 -1.039210 2.376203
H 2.727697 -2.264036 2.809623
H -4.160741 -3.084034 0.925096
H -2.458858 -3.263536 0.398950
H -2.828977 -2.716245 2.063551


