%chk=000057131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057131

0 1
 O  -0.6062000      -2.095100      0.3904000    
 N   -3.082200      0.3955000     -4.8300002E-02
 N  -0.1414000     -7.0000000E-02 -0.4457000    
 N   0.7773000      -1.925100      0.5278000    
 C   -2.514700     -0.8928000     -0.4442000    
 C   -2.870200      0.6304000       1.379400    
 C   -4.508400      0.4459000     -0.3684000    
 C   -1.037200     -0.9592000     -0.1858000    
 C   -3.453900       1.965800       1.808800    
 C   -4.743300      0.2647000      -1.858500    
 C   0.9742000     -0.7077000      1.3000000E-02
 C    2.271700     -0.1001000     -5.8600001E-02
 C    3.390500     -0.7830000      0.4204000    
 C    2.416900       1.174900     -0.6073000    
 C    4.652100     -0.1920000      0.3511000    
 C    3.678600       1.765700     -0.6766000    
 C    4.796200       1.082200     -0.1974000    
 H   -2.613400      -1.059700      -1.522200    
 H   -3.021000      -1.723700      6.4599998E-02
 H   -3.305700     -0.1695000       1.992300    
 H   -1.800700      0.6717000       1.613800    
 H   -5.082500     -0.3027000      0.1919000    
 H   -4.927500       1.428700     -0.1306000    
 H   -3.163000       2.775200       1.130400    
 H   -4.545000       1.940800       1.891500    
 H   -3.075200       2.225600       2.804000    
 H   -4.084700      0.9053000      -2.455100    
 H   -4.617100     -0.7737000      -2.179500    
 H   -5.775200      0.5416000      -2.103000    
 H    3.317400      -1.777100      0.8544000    
 H    1.565700       1.733300     -0.9889000    
 H    5.522700     -0.7238000      0.7242000    
 H    3.791200       2.758000      -1.103600    
 H    5.778500       1.542400     -0.2514000    


%chk=000057131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057131

0 1
O -0.668004 -1.101236 1.448939
N -3.328856 0.160445 0.297895
N -0.050625 -0.382300 -0.614989
N 0.774835 -0.813888 1.521795
C -2.512962 -0.959375 -0.236055
C -3.754895 -0.062399 1.707771
C -4.424494 0.561474 -0.624950
C -1.064124 -0.802099 0.130065
C -4.105004 1.243585 2.444275
C -3.918404 1.356953 -1.843455
C 1.061117 -0.396383 0.260524
C 2.409911 0.008225 -0.160499
C 3.498533 -0.017495 0.752859
C 2.622214 0.430435 -1.499327
C 4.782546 0.376283 0.326982
C 3.910815 0.822485 -1.918706
C 4.993642 0.797061 -1.008819
H -2.554933 -0.950675 -1.336769
H -2.878014 -1.956009 0.108049
H -4.617904 -0.774466 1.761086
H -2.912583 -0.543511 2.236353
H -5.018716 -0.324209 -0.965995
H -5.118711 1.200764 -0.051931
H -3.245445 1.935247 2.417170
H -4.975739 1.758659 1.999847
H -4.350732 1.027525 3.500381
H -3.385993 2.263125 -1.507688
H -3.219468 0.769355 -2.466592
H -4.767021 1.657300 -2.486014
H 3.327556 -0.344005 1.783950
H 1.772087 0.445262 -2.188258
H 5.619464 0.356105 1.033461
H 4.070642 1.147856 -2.952391
H 5.993765 1.102408 -1.336065


