%chk=000057936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057936

0 1
 O   -1.701700     -0.4122000      0.8441000    
 N    4.088600      0.9720000      -1.368200    
 C   -2.586800      5.2700002E-02 -0.1719000    
 C   -2.916000       1.523600      0.1061000    
 C   -3.863500     -0.7965000     -0.1786000    
 C  -0.3626000     -0.2433000      0.6165000    
 C    2.359200      0.1004000      0.1553000    
 C    3.818200      0.2844000     -9.2000000E-02
 C   -3.818700       2.126600     -0.9626000    
 C   -3.589200      -2.274500     -0.4225000    
 C    1.759900      0.6937000       1.266100    
 C    1.594000     -0.6653000     -0.7245000    
 C   0.3952000      0.5213000       1.497500    
 C   0.2293000     -0.8376000     -0.4933000    
 C    4.594000      -1.045300     -7.1999997E-02
 H   -2.131500     -2.4499999E-02  -1.167600    
 H   -1.986200       2.103800      0.1483000    
 H   -3.379200       1.632400       1.094500    
 H   -4.374700     -0.7030000      0.7874000    
 H   -4.556000     -0.4545000     -0.9541000    
 H    4.241100      0.9172000      0.6984000    
 H   -3.889900       3.209700     -0.8175000    
 H   -3.421300       1.948200      -1.966700    
 H   -4.835900       1.728700     -0.9094000    
 H   -4.529600      -2.834000     -0.4482000    
 H   -3.078500      -2.424100      -1.379200    
 H   -2.966900      -2.700700      0.3705000    
 H    2.341300       1.293300       1.961400    
 H    2.040000      -1.139400      -1.594500    
 H  -6.7900002E-02  0.9856000       2.363600    
 H  -0.3478000      -1.453500      -1.177300    
 H    4.427300      -1.575200      0.8728000    
 H    5.671300     -0.8679000     -0.1679000    
 H    4.293400      -1.715000     -0.8858000    
 H    3.834300      0.3662000      -2.148100    
 H    5.092200       1.128700      -1.459200    


%chk=000057936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057936

0 1
O -1.752220 0.039692 0.857498
N 4.621681 0.676104 0.992927
C -2.751205 -0.042111 -0.243771
C -2.860451 1.323836 -0.960714
C -4.056487 -0.488604 0.436715
C -0.382481 -0.025609 0.553962
C 2.451102 -0.175387 0.198901
C 3.977967 -0.292505 0.066131
C -3.613984 1.242495 -2.307114
C -3.990674 -1.922549 1.000963
C 1.878687 -0.005346 1.490784
C 1.569946 -0.263617 -0.903629
C 0.487522 0.069783 1.670845
C 0.165355 -0.188158 -0.742279
C 4.489640 -0.180070 -1.395603
H -2.424220 -0.825822 -0.962038
H -1.842709 1.720439 -1.135242
H -3.364997 2.038121 -0.281752
H -4.277427 0.229593 1.250136
H -4.879608 -0.408451 -0.299534
H 4.267647 -1.298354 0.439292
H -3.648558 2.232848 -2.795584
H -3.113667 0.543046 -3.004177
H -4.656693 0.899355 -2.177604
H -4.934422 -2.194868 1.507427
H -3.813304 -2.661040 0.195970
H -3.168216 -2.010581 1.731492
H 2.556869 0.082929 2.345747
H 1.965964 -0.389816 -1.916677
H 0.047816 0.198294 2.665101
H -0.475564 -0.256937 -1.626382
H 4.104552 -0.993352 -2.039576
H 5.593566 -0.241294 -1.408315
H 4.193796 0.787269 -1.843947
H 4.373260 1.651267 0.788196
H 5.636920 0.551401 1.073251


