%chk=000049264.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049264

0 1
 O    1.339100      0.5408000     -5.9000002E-03
 O   -1.490800      0.4067000       2.329900    
 O   -1.539700      0.2831000      -2.364000    
 O   0.2611000      -3.174000      5.7200000E-02
 N  -0.5278000      -1.335700       1.190300    
 N  -0.5515000      -1.397200      -1.154500    
 C   -1.045400      0.7278000     -3.2000002E-02
 C   -2.202800       1.736900     -4.6599999E-02
 C   0.2926000       1.487900     -6.5800004E-02
 C   -1.076200     -6.4400002E-02   1.271200    
 C   -1.102600     -0.1318000      -1.290900    
 C   -3.534600       1.034700      9.3800001E-02
 C    2.619900       1.163400     -3.2400001E-02
 C  -0.2226000      -2.041000      3.2299999E-02
 C    3.691700      8.5199997E-02  1.3700000E-02
 C    5.089400      0.6776000      3.7000000E-03
 H   -2.199900       2.322600     -0.9743000    
 H   -2.098300       2.458500      0.7738000    
 H   0.3701000       2.169500      0.7909000    
 H   0.3802000       2.075000     -0.9889000    
 H   -3.702800      0.2986000     -0.6981000    
 H   -3.655600      0.5316000       1.056700    
 H   -4.342700       1.771200      2.1800000E-02
 H  -0.4088000      -1.835700       2.067000    
 H  -0.4503000      -1.942500      -2.006000    
 H    2.718500       1.830600      0.8320000    
 H    2.721000       1.754900     -0.9499000    
 H    3.554800     -0.5311000      0.9104000    
 H    3.567600     -0.5930000     -0.8391000    
 H    5.246200       1.327800      0.8701000    
 H    5.839200     -0.1190000      3.6899999E-02
 H    5.259500       1.266300     -0.9034000    


%chk=000049264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049264

0 1
O 1.446125 0.634948 -0.004498
O -0.989378 0.495230 2.441414
O -1.021809 0.377954 -2.426990
O -0.675763 -3.504740 0.099699
N -0.860024 -1.471329 1.235364
N -0.875585 -1.528200 -1.129770
C -0.963070 0.717248 0.000153
C -2.210782 1.660959 -0.014898
C 0.328815 1.578850 -0.029895
C -0.938179 -0.073030 1.320400
C -0.955179 -0.135805 -1.280657
C -3.561151 0.916272 0.013259
C 2.761022 1.297205 -0.045373
C -0.785882 -2.254167 0.070438
C 3.837482 0.209574 0.005251
C 5.261450 0.806011 -0.043301
H -2.144078 2.281184 -0.927409
H -2.131548 2.326562 0.864037
H 0.347016 2.241720 0.860269
H 0.340733 2.186300 -0.958913
H -3.683808 0.259602 -0.867459
H -3.670839 0.303338 0.926615
H -4.392882 1.642521 0.001765
H -0.805950 -1.988809 2.118758
H -0.834006 -2.087643 -1.987891
H 2.855466 1.989180 0.821178
H 2.845704 1.895778 -0.979754
H 3.700543 -0.381857 0.929848
H 3.682489 -0.481825 -0.844226
H 5.444953 1.482206 0.812791
H 6.022003 0.006184 -0.007876
H 5.424615 1.383880 -0.972428


