%chk=000144472.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000144472

0 1
 O    5.460700     -0.9413000      0.1800000    
 O    4.977600       1.200000      0.1544000    
 N   -1.404000      0.3648000      0.1560000    
 N    4.626800     -4.6000001E-03  0.1437000    
 C  -0.2534000       1.286200     -5.1300000E-02
 C  -0.9614000      -1.037800     -7.3500000E-02
 C   0.9533000      0.3784000      4.3000001E-03
 C   0.5461000     -0.9582000     -8.7000001E-03
 C  -0.2650000       2.037500      -1.394900    
 C  -0.2335000       2.292800       1.109600    
 C   -1.512300      -1.904600       1.069500    
 C   -1.383100      -1.631400      -1.429900    
 C   -2.681800      0.7594000     -0.4086000    
 C    2.300200      0.7116000      5.1100001E-02
 C    1.478300      -1.986500      2.5000000E-02
 C   -3.808300     -8.2699999E-02  0.1876000    
 C   0.9978000       2.851500      -1.573400    
 C   -1.456400       3.181500       1.076000    
 C   -1.159600      -1.312700       2.415400    
 C  -0.8418000      -3.033800      -1.601300    
 C    3.242500     -0.3176000      8.8500001E-02
 C    2.834100      -1.658400      7.5499997E-02
 C   -5.167000      0.3316000     -0.3785000    
 C   -6.289900     -0.5257000      0.1835000    
 H  -0.3163000       1.321800      -2.226900    
 H   -1.135800       2.683900      -1.528700    
 H   0.6687000       2.911900       1.122000    
 H  -0.2107000       1.764100       2.073300    
 H   -1.038600      -2.893100       1.071000    
 H   -2.577200      -2.123000       1.036500    
 H   -2.467200      -1.689800      -1.548500    
 H   -1.016500      -1.014800      -2.260600    
 H   -2.937700       1.804100     -0.2438000    
 H   -2.680700      0.6491000      -1.500400    
 H    2.607800       1.748700      0.1196000    
 H    1.192000      -3.030800      6.7900002E-02
 H   -3.728500      -1.134000     -7.3500000E-02
 H   -3.824100      1.1700000E-02   1.279700    
 H   0.8288000       3.548100      -2.405800    
 H    1.847900       2.249900      -1.904200    
 H    1.275900       3.482700     -0.7291000    
 H   -1.288400       4.003200       1.785300    
 H   -2.345600       2.676900       1.463000    
 H   -1.666100       3.671100      0.1255000    
 H   -1.486300      -1.998100       3.206500    
 H   -1.669300     -0.3632000       2.604800    
 H  -8.5000001E-02  -1.167600       2.558700    
 H   -1.363700      -3.490900      -2.453000    
 H   -1.014500      -3.713700     -0.7668000    
 H   0.2092000      -3.049200      -1.898400    
 H    3.551100      -2.475200      0.1154000    
 H   -5.160600      0.2432000      -1.471400    
 H   -5.364500       1.383100     -0.1393000    
 H   -6.341300     -0.4396000       1.273500    
 H   -6.145700      -1.580400     -7.1800001E-02
 H   -7.252400     -0.2061000     -0.2281000    


%chk=000144472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000144472

0 1
O 5.473551 -0.547707 1.177671
O 4.735656 1.605630 1.052693
N -1.398357 0.029965 -0.238914
N 4.547154 0.329041 0.968208
C -0.371376 1.132101 -0.248468
C -0.807149 -1.340299 -0.411845
C 0.895205 0.322313 0.037495
C 0.649105 -1.069542 -0.061078
C -0.270946 1.827157 -1.660839
C -0.599856 2.180892 0.895771
C -1.461006 -2.377919 0.558905
C -0.944851 -1.849563 -1.904088
C -2.805195 0.283714 -0.583224
C 2.172934 0.795907 0.381179
C 1.677936 -2.003437 0.189886
C -3.808906 0.248071 0.603527
C 0.798332 2.931095 -1.818752
C -1.692334 3.253083 0.682174
C -1.342828 -2.027746 2.055466
C -0.264937 -3.186680 -2.273406
C 3.194064 -0.154921 0.608589
C 2.969131 -1.547359 0.522384
C -5.230373 0.678478 0.175691
C -6.252719 0.608185 1.330742
H -0.084479 1.036225 -2.412303
H -1.263388 2.255357 -1.901811
H 0.357951 2.708774 1.072571
H -0.812756 1.605150 1.816456
H -1.005614 -3.370927 0.377809
H -2.528233 -2.476888 0.276508
H -2.027630 -1.937994 -2.124154
H -0.552444 -1.054246 -2.566037
H -2.889500 1.274897 -1.071430
H -3.156870 -0.445091 -1.344380
H 2.404483 1.857471 0.495682
H 1.476921 -3.078335 0.152162
H -3.846077 -0.772714 1.030834
H -3.443720 0.910018 1.412980
H 0.736409 3.376395 -2.828900
H 1.820463 2.531018 -1.699739
H 0.664902 3.748522 -1.087681
H -1.719267 3.931583 1.554935
H -2.700498 2.819239 0.575108
H -1.493259 3.874198 -0.209528
H -1.917486 -2.743636 2.671437
H -1.729545 -1.012255 2.247562
H -0.291923 -2.057751 2.395535
H -0.461584 -3.424907 -3.335223
H -0.647010 -4.032219 -1.673609
H 0.830874 -3.138786 -2.146836
H 3.793397 -2.235757 0.724913
H -5.573334 0.036011 -0.661982
H -5.195768 1.713640 -0.224195
H -5.949606 1.264733 2.167980
H -6.333164 -0.421727 1.726580
H -7.259878 0.923541 1.001389


