%chk=000058394.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058394

0 1
 O   -4.855300     -0.3240000      -2.364000    
 O   -4.857300      1.1100000E-02   2.413500    
 O   -6.069100     -0.8376000      7.1599998E-02
 O    6.013700      -1.151300      0.1738000    
 O    5.986900       1.616800      7.0600003E-02
 O    3.621200      -2.546500      0.1660000    
 N  -1.2200000E-02   1.012500     -5.5300001E-02
 C   -2.460500       1.189500     -6.8599999E-02
 C   -1.150500       1.924800     -0.1195000    
 C   -3.058800      0.9388000       1.159600    
 C   -3.057500      0.7698000      -1.250400    
 C   -4.273500      8.8000000E-02  -1.203200    
 C   -4.274700      0.2569000       1.206800    
 C   -4.882100     -0.1685000      2.5400000E-02
 C    2.403900      0.8961000      1.0400000E-02
 C    4.828900     -0.4788000      0.1198000    
 C    4.819100      0.9151000      6.8800002E-02
 C    3.626100      -1.185200      0.1161000    
 C    3.606700       1.602600      1.4100000E-02
 C    2.413600     -0.4978000      6.1400000E-02
 C    1.140100       1.613100     -4.8700001E-02
 C   -4.507900      -1.623700      -2.837600    
 C   -4.510200      -1.209800       3.064000    
 C   -7.257500     -5.1800001E-02  1.4200000E-02
 C    6.544700      -1.423700       1.468600    
 C    6.572200       1.904300      -1.197800    
 C    3.650100      -3.240900      -1.079500    
 H   -1.112300       2.644100      0.7100000    
 H   -1.108200       2.518500      -1.042900    
 H   -2.587500       1.267400       2.082300    
 H   -2.585300      0.9664000      -2.209500    
 H    3.607700       2.689400     -2.5100000E-02
 H    1.487700      -1.067900      6.0199998E-02
 H    1.195300       2.716700     -9.0400003E-02
 H   -4.787600      -2.388200      -2.105900    
 H   -5.057800      -1.808900      -3.764400    
 H   -3.435500      -1.680500      -3.049400    
 H   -4.789300      -2.069000       2.446000    
 H   -3.437900      -1.236300       3.282400    
 H   -5.060600      -1.263900       4.007200    
 H   -7.304400      0.5080000     -0.9251000    
 H   -7.305900      0.6361000      0.8642000    
 H   -8.116600     -0.7266000      6.1799999E-02
 H    7.487800      -1.962900       1.345200    
 H    6.742800     -0.4919000       2.007700    
 H    5.856100      -2.051000       2.043400    
 H    5.898300       2.522200      -1.799600    
 H    6.810500      0.9787000      -1.731200    
 H    7.499000       2.459300      -1.029500    
 H    3.650800      -4.314600     -0.8732000    
 H    2.763200      -2.999000      -1.673800    
 H    4.557100      -2.991500      -1.639100    


%chk=000058394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058394

0 1
O -5.319954 -0.948797 -1.948639
O -3.916964 0.760390 2.486263
O -5.770221 -0.798124 0.899655
O 5.877705 -1.038921 0.323845
O 5.331593 1.563541 1.467932
O 3.870901 -2.237357 -1.359028
N -0.037417 1.170673 -1.392829
C -2.469378 1.210573 -0.904457
C -1.292039 1.952173 -1.532988
C -2.661880 1.256777 0.494925
C -3.354717 0.449071 -1.700990
C -4.428475 -0.243725 -1.104689
C -3.742081 0.578177 1.101649
C -4.656134 -0.160689 0.297720
C 2.200517 0.964316 -0.440717
C 4.668414 -0.363232 0.038266
C 4.434127 0.926965 0.591783
C 3.673923 -0.950238 -0.803771
C 3.203448 1.577568 0.350379
C 2.448833 -0.303942 -1.029463
C 0.919147 1.668312 -0.656156
C -5.386178 -2.408243 -1.702854
C -4.049176 -0.461815 3.309988
C -7.068315 -0.165692 0.555521
C 5.703047 -2.253093 1.162501
C 6.727434 1.725686 1.003694
C 4.977980 -2.328368 -2.338932
H -1.208540 2.967571 -1.077691
H -1.480157 2.073817 -2.616022
H -1.984183 1.822516 1.143154
H -3.220181 0.368908 -2.784388
H 3.043393 2.561240 0.805457
H 1.684552 -0.771313 -1.656068
H 0.822796 2.655540 -0.147400
H -5.697560 -2.619541 -0.664346
H -6.132514 -2.790324 -2.416106
H -4.401353 -2.870964 -1.904145
H -4.915803 -1.061989 2.987299
H -3.122320 -1.064164 3.246180
H -4.187520 -0.097916 4.339600
H -7.230261 -0.191697 -0.537052
H -7.089551 0.877595 0.920723
H -7.833925 -0.763640 1.073533
H 6.712006 -2.678158 1.275981
H 5.294993 -1.971623 2.150417
H 5.031902 -2.972682 0.661378
H 6.755027 2.365889 0.100612
H 7.187865 0.747382 0.789753
H 7.245856 2.229213 1.833805
H 5.009662 -3.384998 -2.645480
H 4.761481 -1.689158 -3.215860
H 5.937695 -2.029089 -1.880543


