%chk=000130601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130601

0 1
 O    1.670500     -0.1615000     -0.9395000    
 O    3.885800       1.644900      0.1565000    
 O   -1.053900      -1.157200      -1.495400    
 O    2.365700      -2.835400     -0.4697000    
 O   -2.431400      -2.292300      0.6674000    
 O   -1.075800       2.865000     -0.4164000    
 O   -4.306800     -0.3314000      0.3263000    
 N  -0.3831000      0.6538000     -0.1694000    
 N   -2.668700       1.241900     -0.1037000    
 C    1.014400      0.9446000     -0.3037000    
 C    1.700700       1.170500       1.033600    
 C    3.092300      0.6381000      0.7810000    
 C    2.851400     -0.5086000     -0.1909000    
 C  -0.7823000     -0.7493000     -0.1564000    
 C    2.588200      -1.834700      0.5107000    
 C   -2.005900     -0.9458000      0.7243000    
 C   -1.341300       1.673200     -0.2450000    
 C   -3.119900     -1.6000001E-02  0.2903000    
 H    1.151700       1.821200     -0.9477000    
 H    1.216400      0.5819000       1.822500    
 H    1.669300       2.223600       1.329800    
 H    3.610600      0.3283000       1.693300    
 H    3.666900     -0.6195000     -0.9144000    
 H  -9.9999997E-05  -1.393700      0.2310000    
 H    1.738900      -1.810200       1.196400    
 H    3.467300      -2.132600       1.091300    
 H   -1.760500     -0.7027000       1.765600    
 H    3.967000       2.382500      0.7850000    
 H   -3.386400       1.937100     -0.2893000    
 H   -1.625700     -0.4811000      -1.895700    
 H   -3.149100      -2.400900       1.314600    
 H    1.613100      -2.551300      -1.015700    


%chk=000130601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130601

0 1
O 1.461639 0.046089 -0.919685
O 3.913280 1.618648 0.023532
O -0.806108 -1.377753 -0.850388
O 2.005661 -2.820748 -0.774628
O -2.622911 -2.155118 1.102195
O -1.160517 2.876072 -0.752160
O -4.456492 -0.359207 -0.187359
N -0.513258 0.813440 0.179587
N -2.789768 1.252997 -0.379998
C 0.914680 1.113405 -0.018149
C 1.801945 1.060286 1.242447
C 3.162726 0.555784 0.704486
C 2.761730 -0.459654 -0.384869
C -0.859261 -0.596138 0.403079
C 2.612803 -1.894897 0.172035
C -2.287691 -0.761886 0.952920
C -1.454634 1.722102 -0.343430
C -3.291136 0.016435 0.071645
H 0.979615 2.083406 -0.535705
H 1.393120 0.350004 1.984260
H 1.875948 2.049935 1.722449
H 3.777137 0.088948 1.501452
H 3.473054 -0.436367 -1.226139
H -0.144069 -1.018842 1.132752
H 2.060351 -1.884636 1.138373
H 3.624123 -2.295774 0.363713
H -2.334869 -0.338491 1.973292
H 4.155602 2.324221 0.675419
H -3.447177 1.876311 -0.860695
H -0.010069 -1.012546 -1.345721
H -2.637430 -2.571824 0.201393
H 1.021278 -2.681802 -0.799403


