%chk=000018323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018323

0 1
 O   -1.359400     -0.3954000      0.9657000    
 O  -0.9445000      0.2115000      -1.943000    
 O   -3.211600       2.013400      0.2036000    
 O   -2.940100      -2.676800      0.7245000    
 O    1.660400       2.369900      0.6957000    
 O    4.591400      -1.053400     -0.2713000    
 N   0.7731000      0.2559000      0.2435000    
 N    3.118300      0.6640000      0.2132000    
 C   -1.279100       1.088700     -0.8739000    
 C   -2.735400      0.8784000     -0.5162000    
 C  -0.5848000      0.6780000      0.4154000    
 C   -2.699600     -0.3169000      0.4378000    
 C   -3.011000      -1.642700     -0.2420000    
 C    1.831400       1.183900      0.4054000    
 C    1.056600      -1.067300     -8.3099999E-02
 C    2.288500      -1.548100     -0.2630000    
 C    3.445700     -0.6431000     -0.1124000    
 H   -1.024000       2.112700      -1.163700    
 H   -3.394400      0.7207000      -1.374800    
 H  -0.6201000       1.499300       1.141500    
 H   -3.368700     -0.1793000       1.295400    
 H   -2.284600      -1.875000      -1.026200    
 H   -4.016600      -1.633400     -0.6734000    
 H   -1.457600      0.4906000      -2.720400    
 H   -2.713100       2.095900       1.033400    
 H   0.2123000      -1.736000     -0.2089000    
 H   -3.146400      -3.510400      0.2682000    
 H    3.891400       1.314100      0.3248000    
 H    2.467900      -2.584200     -0.5223000    


%chk=000018323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018323

0 1
O -1.595522 -0.013489 1.305124
O -1.014136 1.035630 -1.905905
O -3.727837 1.873856 0.410746
O -2.027839 -2.695591 0.298988
O 1.380703 2.058097 -0.850403
O 4.244450 -1.620784 -0.428620
N 0.578178 0.145894 0.255325
N 2.777913 0.193785 -0.598193
C -1.476945 1.493037 -0.606428
C -2.921374 0.951801 -0.391285
C -0.682887 0.891890 0.622075
C -2.699680 -0.381000 0.348291
C -2.338997 -1.550114 -0.570996
C 1.574907 0.873474 -0.424018
C 0.794865 -1.161915 0.692504
C 1.988415 -1.811619 0.486738
C 3.098390 -1.149001 -0.190422
H -1.473691 2.595167 -0.542298
H -3.444525 0.862367 -1.353860
H -0.395959 1.679826 1.339804
H -3.547532 -0.655420 0.996047
H -1.489711 -1.287733 -1.231528
H -3.226454 -1.762445 -1.204866
H -0.180381 1.540968 -2.109220
H -3.406299 1.846251 1.350013
H -0.060314 -1.625649 1.191365
H -1.833115 -3.488441 -0.260764
H 3.515956 0.710889 -1.087950
H 2.135421 -2.834733 0.833238


