%chk=000044607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044607

0 1
 O   0.2035000      8.0399998E-02  0.3596000    
 O   -2.576400      0.2407000      0.5786000    
 O   -4.620600      0.4310000     -0.4629000    
 N   -4.189300      -1.265600       1.028000    
 C   -1.887800      0.9008000     -0.4825000    
 C  -0.4940000       1.270800      8.6000003E-03
 C    1.566500      0.1039000      0.2284000    
 C   -1.825700     -3.1099999E-02  -1.683200    
 C    2.268100      -1.060800     -6.6799998E-02
 C    2.239300       1.310600      0.3946000    
 C    3.656200      -1.018400     -0.1973000    
 C    1.557300      -2.361400     -0.2473000    
 C    3.627400       1.352900      0.2639000    
 C    4.335800      0.1885000     -3.1900000E-02
 C   -3.860400     -0.1424000      0.3101000    
 H   -2.420900       1.823700     -0.7421000    
 H   1.0100000E-02   1.826800     -0.7924000    
 H  -0.5751000       1.899000      0.9035000    
 H   -2.808900     -0.1688000      -2.144000    
 H   -1.162100      0.3693000      -2.456900    
 H   -1.470800      -1.028700      -1.401500    
 H    1.733100       2.234600      0.6565000    
 H    4.223200      -1.916400     -0.4277000    
 H   0.9591000      -2.596400      0.6393000    
 H   0.9001000      -2.315000      -1.121800    
 H    2.255400      -3.191500     -0.3995000    
 H    4.157900       2.290900      0.3998000    
 H    5.416700      0.2214000     -0.1319000    
 H   -3.524000      -1.705000       1.655200    
 H   -5.106900      -1.691300      0.9521000    


%chk=000044607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044607

0 1
O 0.318963 -0.085489 -0.434152
O -2.511940 -0.138594 0.410414
O -4.676352 0.701562 -0.036884
N -4.264893 -0.884103 1.646601
C -1.977923 0.673066 -0.726439
C -0.560592 1.083309 -0.334885
C 1.674304 0.085284 -0.093158
C -2.078041 -0.131014 -2.028006
C 2.471068 -1.093630 -0.197193
C 2.235123 1.316646 0.322496
C 3.841641 -0.991434 0.128246
C 1.842644 -2.397156 -0.644958
C 3.611653 1.384086 0.640856
C 4.419883 0.232631 0.545398
C -3.902756 -0.043255 0.617319
H -2.600039 1.587229 -0.794834
H -0.208518 1.877356 -1.026866
H -0.559719 1.476843 0.700994
H -3.135512 -0.344374 -2.256621
H -1.651581 0.447973 -2.867775
H -1.518636 -1.075716 -1.939224
H 1.621378 2.218676 0.401989
H 4.465913 -1.890013 0.052929
H 1.003547 -2.682270 0.015908
H 1.418320 -2.306853 -1.662348
H 2.584686 -3.213678 -0.646901
H 4.043796 2.338318 0.962317
H 5.485777 0.281609 0.791745
H -3.564983 -1.455049 2.114157
H -5.240414 -0.919460 1.927375


