%chk=000023163.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023163

0 1
 O    2.697000      -1.046200     -0.9274000    
 O    2.752500       1.078800     -6.6299997E-02
 N   -3.402000      -2.988000     -6.6900000E-02
 C   0.9422000     -0.4379000      0.6246000    
 C    1.438400      -1.158200       1.948000    
 C   5.8400001E-02  -1.395800     -0.2551000    
 C   8.7600000E-02  0.8392000      0.8683000    
 C   -1.308300      -1.775700      0.3397000    
 C    2.220500     -2.3100000E-02 -0.1615000    
 C    2.225200      -2.459200       1.707700    
 C    2.294300     -0.2604000       2.862900    
 C  -0.3772000       1.568300     -0.2003000    
 C   -2.112700      -2.626900     -0.6448000    
 C  -0.1406000       1.144300       2.183700    
 C   -1.148800       2.719100      8.8100001E-02
 C  -0.8997000       2.275800       2.467200    
 C  -0.1251000       1.228200      -1.539400    
 C   -1.401200       3.059100       1.427200    
 C   -1.645600       3.495900     -0.9711000    
 C    3.900600     -0.7751000      -1.652900    
 C  -0.6264000       2.011800      -2.579300    
 C   -4.164500      -1.788100      0.2821000    
 C   -4.166600      -3.823400     -0.9946000    
 C   -1.385200       3.143600      -2.295700    
 C    4.287300      -2.006200      -2.444300    
 H   0.5509000      -1.458100       2.521400    
 H   0.6059000      -2.337200     -0.3908000    
 H  -9.8499998E-02  -1.113200      -1.291200    
 H   -1.170000      -2.324300       1.278400    
 H   -1.845700     -0.8535000      0.5677000    
 H    3.159100      -2.294400       1.163800    
 H    1.635000      -3.210200       1.177600    
 H    2.495900      -2.909900       2.670600    
 H    2.224700      0.8144000       2.684700    
 H    3.360400     -0.4906000       2.739100    
 H    2.059300     -0.4575000       3.915300    
 H   -2.242000      -2.083800      -1.590400    
 H   -1.542100      -3.537200     -0.8679000    
 H   0.1063000      0.5489000       3.047600    
 H   -1.123900       2.537700       3.497400    
 H   0.5662000      0.4720000      -1.878800    
 H   -1.996700       3.936100       1.672100    
 H   -2.239700       4.385600     -0.7728000    
 H    4.701100     -0.5209000     -0.9492000    
 H    3.733700      6.6100001E-02  -2.334900    
 H  -0.3976000       1.758400      -3.610600    
 H   -4.212100      -1.065000     -0.5404000    
 H   -5.195500      -2.055300      0.5458000    
 H   -3.769200      -1.298100       1.177200    
 H   -5.108400      -4.146000     -0.5367000    
 H   -4.397900      -3.298900      -1.928900    
 H   -3.610500      -4.735300      -1.239100    
 H   -1.768600       3.757500      -3.105400    
 H    5.205700      -1.834000      -3.012200    
 H    4.438700      -2.860900      -1.776700    
 H    3.488000      -2.283900      -3.139400    


%chk=000023163-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023163

0 1
O 2.582031 -1.028180 -1.073972
O 2.965142 0.883417 0.182581
N -3.352452 -3.312250 0.116693
C 0.883007 -0.416870 0.597545
C 1.303382 -1.127702 1.965243
C -0.006304 -1.394942 -0.256121
C 0.086737 0.903925 0.814729
C -1.294648 -1.878253 0.447666
C 2.220717 -0.082093 -0.100887
C 1.905298 -2.539538 1.750890
C 2.271390 -0.295856 2.846632
C -0.165111 1.819766 -0.289514
C -2.198065 -2.649235 -0.537780
C -0.489576 1.199598 2.057797
C -0.973922 3.005804 -0.057330
C -1.287851 2.362002 2.279788
C 0.332072 1.623611 -1.625956
C -1.523589 3.256939 1.241236
C -1.227806 3.923682 -1.130945
C 3.904929 -0.800273 -1.735190
C 0.066348 2.531156 -2.652965
C -4.325959 -2.357616 0.685995
C -4.008748 -4.281418 -0.785099
C -0.719417 3.698910 -2.409103
C 4.087868 -1.923037 -2.751601
H 0.358879 -1.267941 2.526108
H 0.602904 -2.262913 -0.560939
H -0.295629 -0.882243 -1.192151
H -1.061868 -2.556819 1.290291
H -1.837108 -1.009217 0.864085
H 2.792006 -2.506881 1.092399
H 1.182493 -3.248814 1.312576
H 2.224497 -2.950429 2.726420
H 1.986133 0.766265 2.909626
H 3.300658 -0.328996 2.448409
H 2.291358 -0.715544 3.870039
H -2.530839 -1.950299 -1.352688
H -1.595740 -3.442258 -1.024357
H -0.332682 0.531377 2.907551
H -1.706792 2.540866 3.276035
H 0.934601 0.743765 -1.865636
H -2.129707 4.157184 1.397571
H -1.836110 4.812414 -0.923203
H 4.688499 -0.799035 -0.955950
H 3.890471 0.201518 -2.202150
H 0.465426 2.346333 -3.656568
H -4.776246 -1.678753 -0.084184
H -5.146366 -2.916307 1.171181
H -3.845453 -1.729820 1.454765
H -4.807070 -4.816605 -0.239661
H -4.469625 -3.808544 -1.690972
H -3.270737 -5.028205 -1.129251
H -0.918560 4.406137 -3.221553
H 5.055600 -1.802292 -3.271972
H 4.080898 -2.909208 -2.256332
H 3.283235 -1.907882 -3.506620


