%chk=000056029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056029

0 1
 O    1.675300      0.4360000      0.1092000    
 O   -1.425000       2.479800     -0.7304000    
 O    5.017700     -0.5770000     -6.7800000E-02
 O    4.105100       1.403200      0.1874000    
 O   -4.172400      -1.707100     -0.1542000    
 N   -1.787800     -0.3596000      6.7000002E-02
 N    3.986800      0.1513000      3.7099998E-02
 N   -2.982300      0.2610000      0.1624000    
 N   -5.277400      0.2814000      0.1618000    
 C   0.5826000     -0.3320000      3.3199999E-02
 C  -0.7077000      0.3636000      0.1393000    
 C   0.8485000      -1.640300     -0.1309000    
 C    2.717200     -0.4274000     -1.3500000E-02
 C    2.261400      -1.716500     -0.1634000    
 C  -0.7039000       1.876100      0.3238000    
 C   -4.138000     -0.4926000      3.9099999E-02
 H   0.1479000      -2.458100     -0.2192000    
 H    2.866100      -2.604600     -0.2817000    
 H   0.2992000       2.306200      0.3503000    
 H   -1.194900       2.118800       1.271600    
 H   -3.012200       1.264600      0.2977000    
 H  -0.9262000       2.326600      -1.551100    
 H   -5.225500       1.281800      0.3217000    
 H   -6.202400     -0.1299000      9.4999999E-02


%chk=000056029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056029

0 1
O 1.744028 0.463864 0.078362
O -1.708869 2.621850 -0.448588
O 5.091646 -0.809414 -0.086607
O 4.304611 1.349949 0.089937
O -4.193914 -1.777573 0.020943
N -1.787065 -0.350114 0.036871
N 4.134302 0.068195 -0.001484
N -3.000090 0.274463 0.089729
N -5.334060 0.261667 0.066807
C 0.562940 -0.311919 0.038372
C -0.692856 0.408839 0.116297
C 0.899274 -1.671107 -0.076532
C 2.803780 -0.450025 -0.014122
C 2.324231 -1.756203 -0.109066
C -0.682658 1.916825 0.362764
C -4.185908 -0.524480 0.053681
H 0.178618 -2.483170 -0.128111
H 2.940886 -2.647304 -0.191771
H 0.321363 2.341343 0.197006
H -0.982350 2.126943 1.405531
H -3.030711 1.306903 -0.014369
H -1.400289 2.696002 -1.386050
H -5.329333 1.277654 0.136273
H -6.225474 -0.227887 0.048527


