%chk=000020683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020683

0 1
 O   -3.714500      0.6050000     -0.3254000    
 O   0.2859000       1.752900      -1.012000    
 O   -2.251300       1.757300      -1.672500    
 N    1.000600      0.6378000      0.8782000    
 N    4.522000      0.2696000     -0.2739000    
 C   -1.412700      0.6130000      0.3450000    
 C   -1.811000       1.284100       1.700600    
 C   -1.421400     -0.9322000      0.3677000    
 C   3.2299999E-02   1.068200     -2.1500001E-02
 C    2.398700      0.9628000      0.7218000    
 C    3.120500     -9.1700003E-02 -0.1043000    
 C   -2.479200       1.080100     -0.6781000    
 C   -1.831300       2.812400       1.669900    
 C   -1.092200      -1.594500     -0.7841000    
 C   -1.757500      -1.557000       1.538300    
 C    5.214300     -0.7215000      -1.100000    
 C    5.183600      0.3969000       1.026200    
 C   -1.099800      -2.989200     -0.7637000    
 C   -1.765000      -2.951600       1.558500    
 C    4.544500     -0.8706000      -2.455500    
 C    6.628300      0.8387000      0.8660000    
 C   -1.436100      -3.667800      0.4074000    
 C   -4.786500      0.9475000      -1.209300    
 C   -6.072500      0.3498000     -0.6795000    
 H   -1.119100      0.9897000       2.499800    
 H   -2.811000      0.9603000       2.018100    
 H    2.764900       1.021400       1.749500    
 H    2.488700       1.954500      0.2636000    
 H    3.010400      -1.078000      0.3666000    
 H    2.600000     -0.1372000      -1.066900    
 H   0.7352000      6.0500000E-02   1.670000    
 H  -0.8513000       3.222900       1.409400    
 H   -2.099100       3.198800       2.659100    
 H   -2.568400       3.194400      0.9577000    
 H    6.239200     -0.3992000      -1.310700    
 H    5.268300      -1.700300     -0.6069000    
 H    4.727400       1.186200       1.629300    
 H    5.138700     -0.5341000       1.604800    
 H  -0.8300000      -1.077000      -1.701100    
 H   -2.018000      -1.051000       2.458400    
 H  -0.8438000      -3.546800      -1.659900    
 H   -2.026100      -3.481000       2.470400    
 H    5.207900      -1.421800      -3.131900    
 H    4.342700      0.1007000      -2.920100    
 H    3.613300      -1.443200      -2.402600    
 H    7.027500       1.149100       1.838400    
 H    6.719200       1.694900      0.1888000    
 H    7.275600      3.1800002E-02  0.5089000    
 H   -1.441800      -4.753700      0.4233000    
 H   -4.577100      0.5490000      -2.208200    
 H   -4.880000       2.037800      -1.263900    
 H   -6.285400      0.7249000      0.3269000    
 H   -5.987300     -0.7391000     -0.6013000    
 H   -6.915100      0.5925000      -1.332900    


%chk=000020683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020683

0 1
O -3.508516 0.636455 -0.701093
O 0.318320 1.603410 -0.572101
O -1.712743 -0.252145 -1.870993
N 0.998115 0.063304 1.024101
N 4.517392 0.178443 -0.431602
C -1.446621 0.268227 0.548595
C -2.047868 1.344604 1.515025
C -1.546662 -1.169112 1.136573
C 0.037102 0.681683 0.251759
C 2.421878 0.425973 0.905044
C 3.090055 -0.204518 -0.344802
C -2.188951 0.206742 -0.809326
C -2.024737 2.803328 1.013690
C -1.071890 -2.269491 0.366600
C -2.086855 -1.432698 2.421568
C 4.944970 0.595668 -1.792383
C 5.424420 -0.799192 0.221717
C -1.136012 -3.585965 0.867804
C -2.148299 -2.753550 2.924933
C 4.391381 1.979435 -2.184903
C 6.747509 -0.174684 0.706417
C -1.673290 -3.835979 2.152822
C -4.333690 0.515199 -1.944662
C -5.714976 1.067740 -1.610581
H -1.487527 1.283396 2.469159
H -3.094697 1.058875 1.724569
H 2.944261 0.108767 1.825793
H 2.504585 1.522514 0.818930
H 2.954652 -1.312258 -0.321167
H 2.546649 0.166082 -1.230886
H 0.723835 -0.729364 1.607618
H -1.002115 3.153615 0.800015
H -2.466900 3.461296 1.784807
H -2.618240 2.914812 0.090808
H 6.049430 0.639678 -1.801759
H 4.650537 -0.161299 -2.562903
H 4.890769 -1.211675 1.099719
H 5.642647 -1.670294 -0.448843
H -0.670056 -2.086265 -0.636294
H -2.468450 -0.616304 3.040162
H -0.769210 -4.416902 0.254844
H -2.570877 -2.932769 3.920088
H 4.721987 2.253977 -3.204331
H 4.751088 2.745850 -1.476151
H 3.286629 1.999194 -2.171511
H 7.366432 -0.932566 1.222560
H 6.541579 0.654312 1.405845
H 7.344819 0.228790 -0.130986
H -1.724103 -4.858603 2.542855
H -4.359006 -0.550379 -2.236661
H -3.829214 1.080362 -2.748706
H -5.653190 2.126575 -1.306125
H -6.181637 0.495567 -0.790565
H -6.369509 0.999137 -2.498686


