%chk=000057802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057802

0 1
 O    2.473500     -0.4368000     -0.1581000    
 O   -2.050500      0.2906000      0.8601000    
 O   -2.456700      0.7852000      -1.380600    
 N   -3.694100       1.790200      0.2764000    
 C    2.240600      0.9930000     -1.3000000E-03
 C   0.8185000       1.206300      0.5682000    
 C   0.2377000     -0.1326000      0.3212000    
 C    1.234300      -1.013000     -6.3900001E-02
 C    2.400100       1.644000      -1.381000    
 C    3.305500       1.531900      0.9551000    
 C   -1.068900     -0.5615000      0.4703000    
 C   0.9747000      -2.347000     -0.3140000    
 C   -1.357100      -1.904500      0.2142000    
 C  -0.3410000      -2.792100     -0.1748000    
 C   -2.716600      0.9463000     -0.1921000    
 H   0.2763000       2.006000      5.4900002E-02
 H   0.8304000       1.410400       1.644400    
 H    3.390400       1.430600      -1.799300    
 H    1.670800       1.242300      -2.093700    
 H    2.270700       2.730000      -1.329300    
 H    3.189900       2.607900       1.120500    
 H    3.252500       1.022200       1.923900    
 H    4.312100       1.344800      0.5639000    
 H    1.762200      -3.029900     -0.6121000    
 H   -2.373800      -2.274700      0.3206000    
 H  -0.5820000      -3.834100     -0.3664000    
 H   -3.872900       1.891200       1.269900    
 H   -4.266800       2.338300     -0.3564000    


%chk=000057802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057802

0 1
O 2.480072 -0.451823 -0.073633
O -2.258149 0.115076 0.667755
O -1.975072 1.654822 -1.125302
N -3.711989 1.832581 0.444531
C 2.231385 1.064787 -0.022433
C 0.743778 1.209677 0.449588
C 0.170434 -0.177980 0.232823
C 1.230637 -1.079213 -0.036512
C 2.429758 1.576443 -1.459442
C 3.258953 1.632337 0.961097
C -1.132559 -0.691731 0.308439
C 1.034011 -2.460235 -0.218099
C -1.378150 -2.073549 0.128787
C -0.294172 -2.943969 -0.127693
C -2.593725 1.255793 -0.113470
H 0.212392 1.973822 -0.141627
H 0.689804 1.497856 1.517684
H 3.433922 1.305042 -1.828327
H 1.675402 1.137289 -2.135558
H 2.325500 2.676599 -1.494409
H 3.132712 2.726477 1.055923
H 3.136164 1.176618 1.958879
H 4.285819 1.429417 0.610668
H 1.877940 -3.125097 -0.419960
H -2.404402 -2.445769 0.194089
H -0.487573 -4.013167 -0.265265
H -4.151046 1.420202 1.264204
H -4.102046 2.662696 0.007864


