%chk=000101013.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101013

0 1
 O    1.766700      -2.140600      0.2556000    
 O    2.148400       1.882900     -0.3887000    
 O    3.099900      0.1810000      0.8349000    
 O   -2.550600       2.385000     -4.2100001E-02
 O   -3.864100      0.6222000     -0.1137000    
 N   -2.727800       1.145000     -4.5400001E-02
 N   -3.000500      -1.702200     -4.2500000E-02
 C   0.8097000      5.7700001E-02  0.1833000    
 C   0.6731000      -1.330500      0.1849000    
 C   -1.589800      0.2938000      3.1099999E-02
 C   -1.726500      -1.094400      3.2600001E-02
 C  -0.3217000      0.8699000      0.1065000    
 C  -0.5950000      -1.906700      0.1095000    
 C    2.125000      0.6788000      0.2589000    
 C    2.361700      -2.534600     -0.9790000    
 C    3.391600       2.592900     -0.3858000    
 H  -0.2070000       1.951100      0.1226000    
 H  -0.6946000      -2.989800      0.1114000    
 H   -3.849800      -1.161800     -0.1013000    
 H   -3.065700      -2.712200     -4.0100001E-02
 H    2.669700      -1.660400      -1.561300    
 H    1.663500      -3.144700      -1.560600    
 H    3.247900      -3.134900     -0.7556000    
 H    4.165200       2.000400     -0.8831000    
 H    3.686900       2.831300      0.6402000    
 H    3.252200       3.525800     -0.9382000    


%chk=000101013-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101013

0 1
O 1.493092 -2.525538 -0.074274
O 2.102582 1.857560 -0.526887
O 3.152126 0.046989 0.485994
O -2.469161 2.486222 -0.247723
O -3.985315 0.813486 0.047996
N -2.747863 1.235953 -0.084583
N -3.165432 -1.678015 0.295452
C 0.780319 -0.089481 -0.136227
C 0.544640 -1.515686 -0.032539
C -1.667044 0.261674 -0.047596
C -1.908109 -1.153685 0.140571
C -0.351935 0.749777 -0.173364
C -0.766555 -2.000005 0.123389
C 2.117965 0.547528 -0.028303
C 2.732261 -2.413137 -0.873505
C 3.357316 2.622200 -0.343710
H -0.211880 1.828751 -0.267282
H -0.892516 -3.084950 0.192071
H -3.957449 -1.024655 0.269407
H -3.291911 -2.677650 0.436310
H 3.533784 -1.972852 -0.263616
H 2.562633 -1.796558 -1.775238
H 2.965902 -3.449553 -1.162097
H 4.187796 2.128515 -0.875809
H 3.608725 2.696651 0.727721
H 3.144429 3.611461 -0.772057


