%chk=000064014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064014

0 1
 O    2.958100       1.016400      0.5234000    
 O   0.3063000      -2.047400      0.2549000    
 N   0.7390000      0.2593000      5.2200001E-02
 N   -1.097300       1.758500     -0.1513000    
 N    4.284100      0.6189000      0.4018000    
 C   -1.535100     -0.6328000      0.1006000    
 C   -1.980500      0.6766000     -7.9400003E-02
 C  -7.9899997E-02 -0.8843000      0.1644000    
 C   0.1779000       1.532900     -6.8000004E-02
 C    2.159700      4.4399999E-02  2.2800000E-02
 C   -3.356500      0.9184000     -0.1659000    
 C   -2.446600      -1.691300      0.1933000    
 C   -4.269800     -0.1329000     -7.4500002E-02
 C   -3.814500      -1.436700      0.1062000    
 C    1.064500       2.761400     -4.7300000E-02
 C    2.913600     -0.9973000     -0.4330000    
 C    4.232400     -0.5866000     -0.1720000    
 C   -5.732800      0.1399000     -0.1699000    
 C    5.477300      -1.317300     -0.4583000    
 H   -3.714300       1.936800     -0.3043000    
 H   -2.112200      -2.715900      0.3298000    
 H   -4.515000      -2.264700      0.1769000    
 H   0.4678000       3.655600     -0.2571000    
 H    1.509900       2.886300      0.9432000    
 H    1.838700       2.695600     -0.8161000    
 H    2.582700      -1.913600     -0.8988000    
 H   -5.980100       1.115900      0.2613000    
 H   -6.049600      0.1276000      -1.217500    
 H   -6.313100     -0.6089000      0.3798000    
 H    5.272300      -2.288800     -0.9199000    
 H    6.041800      -1.496800      0.4626000    
 H    6.111600     -0.7474000      -1.145100    


%chk=000064014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064014

0 1
O 2.799006 0.751938 1.015656
O 0.392306 -2.103323 -0.250662
N 0.731118 0.236766 -0.094720
N -1.123765 1.781584 -0.123918
N 4.209916 0.331756 0.997110
C -1.553899 -0.660418 -0.107950
C -2.013302 0.691764 -0.074151
C -0.117101 -0.953240 -0.161064
C 0.176109 1.558134 -0.134443
C 2.124291 0.028798 0.016888
C -3.407732 0.955316 -0.015316
C -2.495519 -1.723880 -0.088696
C -4.344640 -0.096073 0.012973
C -3.867035 -1.444430 -0.025459
C 1.120489 2.730330 -0.231849
C 3.000489 -0.837025 -0.607633
C 4.274758 -0.616128 0.027640
C -5.834536 0.180104 0.078465
C 5.587636 -1.289325 -0.256087
H -3.727618 2.002003 0.005308
H -2.119693 -2.751671 -0.118952
H -4.590495 -2.267989 -0.005005
H 0.519623 3.621020 -0.463237
H 1.664901 2.893710 0.713337
H 1.879092 2.578205 -1.021019
H 2.766548 -1.552718 -1.388762
H -6.047626 1.261375 0.109007
H -6.356865 -0.245504 -0.799015
H -6.285241 -0.281436 0.977053
H 5.514750 -2.377027 -0.077624
H 6.376216 -0.879729 0.395575
H 5.888220 -1.141085 -1.308650


