%chk=000041908.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041908

0 1
 O   -4.270300      0.2520000       1.973800    
 N   -4.446100      0.3183000      0.6053000    
 C   -4.599900      -1.091900      6.6100001E-02
 C   -5.646800       1.202800      0.3212000    
 C   -3.202100      0.9295000      1.4600000E-02
 C   -5.967600      -1.723200      0.2982000    
 C   -6.297500       1.025800      -1.045500    
 C   -6.919600      -1.473100     -0.8719000    
 C   -7.401300     -3.2800000E-02  -1.023000    
 C   -1.958400      0.1276000      0.3676000    
 C  -0.6342000      0.7262000     -0.1203000    
 C   0.6319000     -4.3600000E-02  0.2675000    
 C    1.913500      0.5590000     -0.3138000    
 C    3.151000     -0.1956000      0.1797000    
 C    4.467000      0.3819000     -0.3497000    
 C    5.702400     -0.3872000      0.1239000    
 C    6.990400      0.2740000     -0.3722000    
 C    8.227600     -0.4708000      0.1323000    
 C    9.513600      0.1692000     -0.3904000    
 C    10.74640     -0.5479000      0.1365000    
 H   -4.332800      -1.077300     -0.9963000    
 H   -3.860400      -1.693000      0.6078000    
 H   -6.363600       1.016700       1.130700    
 H   -5.291400       2.232500      0.4454000    
 H   -3.348200      0.9959000      -1.068400    
 H   -3.125900       1.941300      0.4297000    
 H   -5.830300      -2.809100      0.3771000    
 H   -6.416400      -1.392800       1.241200    
 H   -6.768500       1.978500      -1.318000    
 H   -5.564800      0.8031000      -1.827700    
 H   -6.439600      -1.791300      -1.806000    
 H   -7.800100      -2.116200     -0.7495000    
 H   -8.109800      0.1961000     -0.2168000    
 H   -7.972600      3.9000001E-02  -1.957000    
 H   -2.019000     -0.8790000     -6.0300000E-02
 H   -1.886600     -5.2000000E-03   1.453700    
 H  -0.6753000      0.8098000      -1.213900    
 H  -0.5508000       1.750700      0.2641000    
 H   0.7040000     -7.2999999E-02   1.361700    
 H   0.5373000      -1.082700     -7.1099997E-02
 H    1.872400      0.5285000      -1.409000    
 H    1.988700       1.613000     -2.1000000E-02
 H    3.171800     -0.1806000       1.276500    
 H    3.075200      -1.247900     -0.1210000    
 H    4.443200      0.3854000      -1.446400    
 H    4.547200       1.429000     -3.1599998E-02
 H    5.651900      -1.421400     -0.2369000    
 H    5.709000     -0.4263000       1.219900    
 H    7.026200       1.315500     -3.0300001E-02
 H    6.992700      0.2931000      -1.468800    
 H    8.183500      -1.518700     -0.1886000    
 H    8.234200     -0.4689000       1.229100    
 H    9.522800      0.1453000      -1.486200    
 H    9.555100       1.222300     -8.8299997E-02
 H    11.65430     -7.4800000E-02 -0.2503000    
 H    10.78400     -0.5119000       1.230000    
 H    10.75180      -1.597800     -0.1734000    


%chk=000041908-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041908

0 1
O -4.219205 0.447482 1.898062
N -4.447646 0.329150 0.487484
C -4.752291 -1.145505 0.147069
C -5.607437 1.283524 0.129171
C -3.178598 0.776922 -0.276719
C -6.154868 -1.599264 0.581896
C -6.428299 0.968175 -1.140667
C -7.235371 -1.438938 -0.516353
C -7.620910 0.017574 -0.866389
C -1.945777 -0.059851 0.089854
C -0.633164 0.661335 -0.293791
C 0.623639 -0.175096 0.036116
C 1.945695 0.557517 -0.284974
C 3.203454 -0.278721 0.041784
C 4.526298 0.464211 -0.252019
C 5.784729 -0.371422 0.073880
C 7.107189 0.378205 -0.205025
C 8.366628 -0.456362 0.119871
C 9.688423 0.298058 -0.151470
C 10.941833 -0.543367 0.173012
H -4.605615 -1.311248 -0.939117
H -3.975618 -1.688755 0.704996
H -6.240582 1.258751 1.030183
H -5.141346 2.282084 0.083513
H -3.389982 0.758415 -1.365461
H -3.023270 1.819551 0.049598
H -6.089731 -2.671908 0.848220
H -6.416480 -1.069802 1.518475
H -6.826864 1.927893 -1.524855
H -5.780884 0.567893 -1.947138
H -6.875036 -1.950748 -1.433385
H -8.152256 -1.976531 -0.203177
H -8.212758 0.448740 -0.033383
H -8.289282 0.004827 -1.750312
H -1.973648 -1.050922 -0.404843
H -1.986590 -0.217367 1.185546
H -0.633083 0.908673 -1.376875
H -0.580679 1.627780 0.249012
H 0.606421 -0.445842 1.112100
H 0.588031 -1.131666 -0.526390
H 1.960188 0.837091 -1.359588
H 1.981745 1.509888 0.284314
H 3.179258 -0.571987 1.112290
H 3.177086 -1.224310 -0.539546
H 4.550546 0.761175 -1.321719
H 4.552248 1.407839 0.332417
H 5.764488 -1.310981 -0.517383
H 5.755413 -0.676161 1.141145
H 7.127074 1.316663 0.388052
H 7.136404 0.685005 -1.271834
H 8.351676 -1.392590 -0.476941
H 8.336481 -0.767617 1.185299
H 9.716744 0.611101 -1.215370
H 9.703197 1.231884 0.447111
H 11.872344 0.018824 -0.028772
H 10.952517 -0.843658 1.238002
H 10.966718 -1.467611 -0.434976


