%chk=000072443.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072443

0 1
 O   -2.020500      0.5041000     -0.9727000    
 O   -1.416900      -2.361800       1.103900    
 O   -3.684500      -2.026100     -0.3773000    
 O   -3.613000       2.727900     -0.3634000    
 O    4.514900       1.471800      0.4723000    
 N   0.3641000       1.417700      0.2004000    
 N    1.981000      -1.581800     -0.5572000    
 N    1.649000       1.796100      0.3875000    
 N    4.226000     -0.7320000     -0.1743000    
 C   -1.816200      -1.037800      0.8114000    
 C   -1.137400     -0.5043000     -0.4411000    
 C   -3.284700     -0.9306000      0.4460000    
 C   -3.327000      0.3565000     -0.3709000    
 C   0.2153000      0.1133000     -0.1817000    
 C   -3.604100       1.588700      0.4788000    
 C    1.484200     -0.3760000     -0.2438000    
 C    2.333100      0.6826000      0.1113000    
 C    3.777600      0.5439000      0.1619000    
 C    3.359400      -1.652200     -0.4912000    
 H   -1.030900      -1.287900      -1.201900    
 H   -1.605700     -0.4050000       1.682400    
 H   -3.947700     -0.9209000       1.316300    
 H   -4.048300      0.2998000      -1.194000    
 H   -2.824200       1.739300       1.231900    
 H   -4.576200       1.511000      0.9753000    
 H  -0.4563000      -2.352800       1.254300    
 H  -0.3622000       2.106300      0.3528000    
 H   -3.530600      -2.840000      0.1322000    
 H    1.421800      -2.386700     -0.8204000    
 H   -3.793100       3.499700      0.1999000    
 H    3.726000      -2.657500     -0.7550000    


%chk=000072443-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072443

0 1
O -1.975822 1.020697 -0.519206
O -1.070912 -2.390058 0.457749
O -3.531959 -1.897384 -0.638555
O -4.322285 2.676747 -0.005380
O 4.955715 1.167297 0.139464
N 0.679862 1.716853 -0.401823
N 1.894593 -1.642778 -0.095299
N 2.028784 1.974765 -0.255353
N 4.234931 -1.076448 0.131507
C -1.589607 -1.016281 0.607486
C -1.059315 -0.130631 -0.542449
C -3.129194 -0.933016 0.382870
C -3.344209 0.496413 -0.185543
C 0.337665 0.373763 -0.371978
C -4.023205 1.471462 0.770289
C 1.558359 -0.293041 -0.197907
C 2.577338 0.717771 -0.130113
C 4.001930 0.352120 0.052847
C 3.244502 -1.946396 0.061629
H -1.169185 -0.697847 -1.492949
H -1.301203 -0.585514 1.584583
H -3.696413 -1.109537 1.319449
H -3.929910 0.421098 -1.119510
H -3.352143 1.691752 1.628431
H -4.956630 1.000017 1.149560
H -1.126990 -2.864172 1.325537
H 0.018622 2.485535 -0.515820
H -2.911632 -2.674782 -0.577841
H 1.160213 -2.357828 -0.103870
H -4.702908 3.372438 0.586665
H 3.473911 -3.017716 0.129230


