%chk=000043808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043808

0 1
 O    1.086700      0.7981000      -1.970700    
 O   -2.412000       2.700100       1.734600    
 O   -1.058900       3.330400      3.2699998E-02
 N   -2.453600      8.7600000E-02  0.7087000    
 C  -0.4022000      0.3289000     -0.1039000    
 C   0.8758000      0.9265000     -0.5473000    
 C  -0.7403000      -1.052500     -0.1527000    
 C   -2.032200      -1.176500      0.3629000    
 C   -1.475300       1.004100      0.4303000    
 C    2.107700      0.3871000      0.1816000    
 C  -6.9300003E-02  -2.212600     -0.5874000    
 C   -2.689200      -2.407800      0.4660000    
 C   -3.745500      0.4017000       1.284000    
 C   -1.597300       2.411100      0.6704000    
 C  -0.7142000      -3.451100     -0.4905000    
 C   -2.003900      -3.544800      2.8500000E-02
 C    2.440500      0.9276000       1.402700    
 C    2.836600     -0.6189000     -0.4107000    
 C  -2.9800000E-02   1.285800      -2.685800    
 C    3.563600      0.4357000       2.067700    
 C    3.959700      -1.110900      0.2544000    
 C   0.2301000       1.133800      -4.169400    
 C    4.323100     -0.5835000       1.493700    
 H   0.8901000       2.006700     -0.3624000    
 H   0.9113000      -2.190900      -1.037600    
 H   -3.690900      -2.499200      0.8709000    
 H   -4.437400     -0.4291000       1.131500    
 H   -3.618200      0.5718000       2.355900    
 H   -4.166400       1.273700      0.7768000    
 H  -0.2058000      -4.348300     -0.8336000    
 H   -2.486300      -4.516800      9.3199998E-02
 H    1.852800       1.719900       1.856000    
 H    2.609800      -1.016600      -1.393400    
 H  -0.9422000      0.7232000      -2.467500    
 H  -0.1932000       2.344500      -2.455800    
 H    3.846700      0.8463000       3.032600    
 H    4.557800      -1.897100     -0.1973000    
 H  -0.6136000       1.508600      -4.755800    
 H    1.132600       1.681200      -4.460800    
 H   0.3991000      8.2500003E-02  -4.425700    
 H    5.198900     -0.9650000       2.010300    
 H   -2.484100       3.667100       1.882900    


%chk=000043808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043808

0 1
O 1.034981 0.524911 -2.066852
O -2.650738 2.897056 1.527465
O -0.443837 3.206009 0.893639
N -2.460836 0.077219 0.990097
C -0.434961 0.344544 -0.100060
C 0.853362 0.927060 -0.662352
C -0.867834 -1.018196 -0.261296
C -2.127736 -1.156153 0.424900
C -1.430782 1.001703 0.663753
C 2.084264 0.453308 0.126548
C -0.296663 -2.142900 -0.922667
C -2.820171 -2.392785 0.462656
C -3.661277 0.316952 1.805779
C -1.421316 2.417566 1.021349
C -0.980027 -3.367052 -0.878466
C -2.230491 -3.487611 -0.193090
C 2.180840 0.765319 1.506118
C 3.132492 -0.261467 -0.497531
C 0.074409 1.172390 -2.978952
C 3.308875 0.362620 2.252696
C 4.260695 -0.669201 0.253409
C 0.403757 0.702112 -4.394684
C 4.353877 -0.360514 1.628970
H 0.800497 2.033089 -0.594133
H 0.652506 -2.035011 -1.454044
H -3.784300 -2.506749 0.968217
H -4.058247 -0.655287 2.135501
H -3.412868 0.918721 2.691864
H -4.437712 0.855483 1.235261
H -0.558009 -4.246994 -1.375737
H -2.743885 -4.455875 -0.183798
H 1.375164 1.326643 1.993530
H 3.060072 -0.480056 -1.566262
H -0.961614 0.889037 -2.695826
H 0.170978 2.276439 -2.887488
H 3.375084 0.613229 3.317769
H 5.067369 -1.224940 -0.238991
H -0.276800 1.177513 -5.124755
H 1.442103 0.966850 -4.660327
H 0.292513 -0.393269 -4.475699
H 5.229366 -0.674948 2.208708
H -2.531999 3.865638 1.724781


