%chk=000048564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048564

0 1
 O  -0.3783000      -1.841200      -1.815400    
 O  -0.3708000       1.080700       1.860500    
 O    3.461600      -1.096000      0.5839000    
 N    1.561400      -1.391100     -0.6761000    
 N    1.564800      6.8000004E-02   1.160600    
 C  -0.3647000      9.4300002E-02 -0.3547000    
 C   -1.882300     -8.8000000E-02 -0.2067000    
 C  -8.4200002E-02   1.278900      -1.296600    
 C   -2.203000      -1.274900      0.6902000    
 C   0.2368000      -1.146800      -1.006500    
 C   0.2407000      0.4479000       1.000100    
 C  -0.5763000       2.556200     -0.7017000    
 C   -3.705300      -1.470000      0.8169000    
 C    2.283300     -0.8129000      0.3610000    
 C   0.2164000       3.595000     -0.4154000    
 H   -2.347500     -0.2403000      -1.189700    
 H   -2.362800      0.7947000      0.2301000    
 H  -0.5779000       1.125100      -2.265000    
 H   0.9898000       1.349100      -1.516400    
 H   -1.791900      -1.134600       1.695500    
 H   -1.775700      -2.204200      0.3001000    
 H    2.030700      -2.127300      -1.196100    
 H    2.036800      0.4076000       1.994000    
 H   -1.644400       2.686000     -0.5533000    
 H   -4.181900     -0.5859000       1.252500    
 H   -4.161100      -1.661200     -0.1600000    
 H   -3.923100      -2.325000       1.464900    
 H  -0.2028000       4.512000     -1.5699999E-02
 H    1.288800       3.551000     -0.5695000    


%chk=000048564-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048564

0 1
O -0.258521 -1.618768 -2.042783
O -0.282326 1.125814 1.937218
O 3.450844 -1.368748 0.748403
N 1.574384 -1.441921 -0.645063
N 1.594197 -0.038752 1.255697
C -0.361784 0.121027 -0.307168
C -1.888348 -0.126520 -0.136884
C -0.100253 1.374684 -1.263893
C -2.240779 -1.375206 0.703600
C 0.283322 -1.057857 -1.056086
C 0.279209 0.433200 1.052634
C -0.573236 2.703761 -0.721753
C -3.767880 -1.562383 0.829796
C 2.293117 -0.970558 0.469991
C 0.207165 3.810420 -0.650445
H -2.326875 -0.227373 -1.147206
H -2.328799 0.764537 0.344608
H -0.633777 1.129729 -2.204198
H 0.978642 1.437000 -1.504875
H -1.800422 -1.279221 1.715675
H -1.800891 -2.277697 0.235407
H 2.044520 -2.164197 -1.200825
H 2.066809 0.260078 2.115299
H -1.621809 2.765926 -0.402055
H -4.235512 -0.688709 1.321187
H -4.235911 -1.683087 -0.165120
H -4.013130 -2.457738 1.429028
H -0.186009 4.764064 -0.282360
H 1.261151 3.795594 -0.956329


