%chk=000048481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048481

0 1
 O   -2.143000      0.5302000      0.1191000    
 O  -0.2227000     -0.1356000       2.242600    
 O    1.397300     -0.9824000      -2.082800    
 O    3.083000       2.474000      0.4209000    
 N    1.359400       1.227200       1.292700    
 N    2.168200      0.8046000     -0.8682000    
 C   9.4499998E-02 -0.2963000     -0.1561000    
 C   -1.019300      0.5874000     -0.7460000    
 C  -0.4050000      -1.745200     -5.9500001E-02
 C   0.3920000      0.2346000       1.242700    
 C    1.276100     -0.2274000      -1.118400    
 C   0.6269000      -2.628500      0.6237000    
 C   -1.401900      9.8499998E-02  -2.128300    
 C   0.1420000      -4.067400      0.6985000    
 C    2.250000       1.576300      0.2846000    
 C   -3.217000       1.326700     -0.3644000    
 C   -4.380300       1.223300      0.5990000    
 H  -0.6753000       1.628800     -0.8110000    
 H  -0.6116000      -2.170500      -1.048900    
 H   -1.343300      -1.804300      0.5070000    
 H   0.8417000      -2.297600       1.644200    
 H    1.577500      -2.615800      7.9200000E-02
 H   -2.008500     -0.8129000      -2.100600    
 H   -2.015600      0.8491000      -2.641000    
 H  -0.5672000     -4.7800001E-02  -2.813600    
 H    1.483300       1.695800       2.185800    
 H    2.888300      0.9618000      -1.567800    
 H  -0.7871000      -4.140400       1.272800    
 H  -3.7999999E-02  -4.475200     -0.3015000    
 H   0.8928000      -4.695200       1.188700    
 H   -2.899600       2.371300     -0.4554000    
 H   -3.584400      0.9703000      -1.330200    
 H   -5.226900       1.825800      0.2580000    
 H   -4.705400      0.1826000      0.7018000    
 H   -4.084500       1.563800       1.596900    


%chk=000048481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048481

0 1
O -2.177728 0.485085 -0.018865
O -0.353635 -0.235491 2.244160
O 1.700261 -0.985832 -1.973073
O 2.660414 2.826752 0.505856
N 0.982918 1.386905 1.278191
N 2.101134 0.935723 -0.751925
C 0.072740 -0.415834 -0.196770
C -1.042242 0.457397 -0.944654
C -0.332585 -1.907534 -0.106661
C 0.202811 0.202319 1.213314
C 1.353809 -0.226776 -1.032399
C 0.687193 -2.810063 0.626485
C -1.431876 -0.090043 -2.329330
C 0.220599 -4.281668 0.647390
C 1.951529 1.800902 0.351890
C -3.197961 1.503241 -0.336504
C -4.174439 1.536977 0.838331
H -0.641216 1.492958 -1.052584
H -0.463183 -2.291703 -1.134056
H -1.309904 -1.952984 0.406120
H 0.820335 -2.455926 1.665511
H 1.670616 -2.748146 0.120627
H -2.034466 -1.007425 -2.222747
H -2.034209 0.656123 -2.877252
H -0.543304 -0.324603 -2.940188
H 0.953372 1.914093 2.156913
H 2.884132 1.150105 -1.378216
H -0.752538 -4.380798 1.163895
H 0.101850 -4.676692 -0.379267
H 0.949126 -4.924683 1.173895
H -2.703076 2.489999 -0.478449
H -3.721069 1.237289 -1.278816
H -4.969695 2.282751 0.656067
H -4.644871 0.548343 0.975625
H -3.648444 1.798837 1.771986


