%chk=000126520.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126520

0 1
 O   -3.932000       1.107700     -0.3568000    
 O   -2.375400      -1.170800       2.976300    
 O   -4.536300      -1.108100     -0.3679000    
 O    4.036500      -2.293100      -2.079600    
 O    3.137300       3.538200     -0.7069000    
 O    1.346200       3.650100      0.6880000    
 N   3.2800000E-02  -1.480200     -0.8742000    
 N   -2.434800     -0.4197000      0.3354000    
 N    1.905600      0.7247000     -0.3758000    
 N    2.961700      -1.080000      0.8221000    
 N   -2.576400      -3.354700       2.294000    
 N    3.811200     -0.7626000      -3.783200    
 N    4.419600     -0.6213000       2.633800    
 C    1.478600      -1.562600      -1.021100    
 C  -0.3653000      -1.752300      0.5036000    
 C   -1.887000      -1.712900      0.6581000    
 C    1.849000      -1.377400      -2.503300    
 C    2.171700     -0.5576000     -0.1183000    
 C   -5.225500       1.456800     -0.8627000    
 C   -2.282800      -2.022100       2.095000    
 C   -3.713000     -0.2252000     -0.1504000    
 C    3.337200      -1.536200      -2.748600    
 C   -5.417400      0.7775000      -2.217900    
 C   -6.281400      0.9871000      0.1368000    
 C   -5.266000       2.976000      -1.012900    
 C    3.385000       1.201400       1.461800    
 C    2.537500       1.589600      0.4445000    
 C    3.561100     -0.1597000       1.605600    
 C    4.060800       2.193500       2.343200    
 C    2.261300       2.994000      0.1811000    
 H    1.802200      -2.571300     -0.7273000    
 H   5.9200000E-02  -1.016400       1.197300    
 H  -1.8000000E-03  -2.740000      0.8158000    
 H   -2.350300      -2.452900     -7.1000000E-03
 H  -0.4187000      -2.148600      -1.498100    
 H    1.523000     -0.3922000      -2.861400    
 H    1.342800      -2.130500      -3.120700    
 H   -1.868600      0.4044000      0.5154000    
 H   -5.636300     -0.2918000      -2.164300    
 H   -6.262400       1.225700      -2.754000    
 H   -4.524400      0.8924000      -2.843300    
 H   -5.988000       1.234400       1.163600    
 H   -7.242000       1.476500     -6.4300001E-02
 H   -6.488500     -8.5699998E-02  0.1098000    
 H   -6.230300       3.322500      -1.398600    
 H   -5.081200       3.466300     -5.0200000E-02
 H   -4.477300       3.320100      -1.691800    
 H   -2.869000      -3.692300       3.205000    
 H   -2.499700      -4.047200       1.556000    
 H    5.130300       1.971200       2.429100    
 H    3.997600       3.220300       1.972000    
 H    3.612000       2.176300       3.342000    
 H    3.210800     -0.1510000      -4.326800    
 H    4.792000     -0.7840000      -4.042300    
 H    4.485400     -8.3700001E-02   3.489100    
 H    4.534000      -1.625200       2.706000    
 H    2.944200       4.484900     -0.8765000    


%chk=000126520-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126520

0 1
O -3.638875 0.449195 -0.687593
O -0.328809 -2.269435 2.749790
O -4.307488 -1.338952 0.721308
O 3.287994 -1.782902 -4.350419
O 4.346109 2.753549 -1.413820
O 4.027995 3.921157 0.556351
N 0.097393 -1.650012 -1.237506
N -2.090614 -1.036601 0.037639
N 2.663276 0.841292 -0.731982
N 1.760110 -0.696139 0.875055
N -2.649623 -2.220513 2.767657
N 3.939560 0.154982 -3.227189
N 1.718826 -0.289085 3.147460
C 1.532448 -1.271186 -1.486470
C -0.199554 -2.616264 -0.139338
C -1.572584 -2.308155 0.562438
C 1.637360 -0.672759 -2.914729
C 2.016881 -0.305797 -0.394972
C -5.031243 1.067717 -0.773157
C -1.439095 -2.260751 2.126869
C -3.413485 -0.693333 0.074850
C 3.030878 -0.821728 -3.558002
C -5.994389 0.064031 -1.437468
C -5.494585 1.492241 0.634858
C -4.773762 2.287733 -1.674304
C 2.818996 1.372042 1.671539
C 3.077096 1.652525 0.309261
C 2.100634 0.133477 1.904649
C 3.226716 2.211615 2.860559
C 3.833669 2.880170 -0.116741
H 2.183375 -2.175181 -1.433953
H 0.585996 -2.514782 0.622992
H -0.217034 -3.661680 -0.507075
H -2.310352 -3.105970 0.342802
H -0.316353 -1.961406 -2.127055
H 1.321051 0.384018 -2.893725
H 0.957930 -1.234402 -3.580850
H -1.402332 -0.560835 -0.579210
H -6.130837 -0.826359 -0.804013
H -6.977397 0.545336 -1.592780
H -5.605624 -0.249180 -2.422682
H -4.739157 2.143956 1.108959
H -6.437943 2.062477 0.553156
H -5.666095 0.612940 1.275207
H -5.716408 2.840206 -1.836784
H -4.041431 2.968446 -1.207230
H -4.378068 1.969745 -2.654090
H -2.662911 -2.161691 3.786575
H -3.513392 -2.085281 2.208908
H 3.806158 1.602706 3.582942
H 3.826761 3.082213 2.567261
H 2.331219 2.592773 3.392288
H 3.715211 0.828747 -2.478152
H 4.879055 0.095649 -3.619287
H 1.905416 0.260343 3.981565
H 1.099117 -1.117564 3.181354
H 4.817011 3.598965 -1.649613


