%chk=000044540.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044540

1 1
 O    3.473200       1.478700      1.4000000E-03
 N   -2.997000      0.1746000     -3.9999999E-04
 N    2.565900     -0.6974000      3.0000001E-04
 C   -1.484800     -6.2399998E-02 -7.9999998E-04
 C   -3.370000      0.9654000      -1.251100    
 C   -3.372900      0.9456000       1.261900    
 C   -3.786400      -1.132900     -1.1200000E-02
 C  -0.6924000       1.036000      9.9999997E-05
 C   -1.066600      -1.350700     -5.0000002E-04
 C   0.6858000      0.8200000      1.2000001E-03
 C   0.3114000      -1.566800      7.9999998E-04
 C    1.187600     -0.4814000      1.5000000E-03
 C    3.591300      0.2576000     -1.2000001E-03
 C    4.955100     -0.3862000     -1.9000000E-03
 H   -3.014800      0.4190000      -2.130700    
 H   -4.460600       1.057400      -1.281700    
 H   -2.930900       1.965700      -1.206200    
 H   -2.928700       1.944300       1.235500    
 H   -4.463200       1.041400       1.289100    
 H   -3.023300      0.3832000       2.133600    
 H   -3.571800      -1.700400      0.9003000    
 H   -4.852500     -0.8781000     -1.3700000E-02
 H   -3.564100      -1.689600     -0.9275000    
 H   -1.058500       2.055500      1.4000000E-03
 H   -1.686800      -2.235700     -6.0000003E-04
 H    1.300600       1.709300      1.9000000E-03
 H   0.6898000      -2.586200      7.9999998E-04
 H    2.852300      -1.674200       0.000000    
 H    5.082200     -0.9830000      0.9056000    
 H    5.729400      0.3854000     -3.1599998E-02
 H    5.061800      -1.029000     -0.8803000    


%chk=000044540-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044540

1 1
O 3.484572 1.476859 0.004322
N -3.069947 0.171673 0.000196
N 2.637994 -0.711458 -0.003417
C -1.559787 -0.084336 -0.000686
C -3.458861 0.973077 -1.251065
C -3.459293 0.961353 1.258742
C -3.882921 -1.120828 -0.006153
C -0.691319 1.031642 0.004361
C -1.030302 -1.392387 -0.006209
C 0.701756 0.855620 0.003665
C 0.364960 -1.572797 -0.006881
C 1.252435 -0.460949 -0.002099
C 3.694462 0.234620 0.000670
C 5.079889 -0.391695 0.001119
H -3.164691 0.396306 -2.140107
H -4.547027 1.143207 -1.242137
H -2.929178 1.935023 -1.248219
H -2.928480 1.922659 1.265577
H -4.547278 1.132698 1.250450
H -3.166598 0.375671 2.142429
H -3.650663 -1.706572 0.894802
H -4.950482 -0.853549 -0.005888
H -3.648986 -1.698804 -0.911689
H -1.071168 2.059248 0.008734
H -1.662449 -2.282905 -0.010280
H 1.377226 1.712783 0.007298
H 0.763509 -2.593817 -0.011247
H 2.920649 -1.695474 -0.007482
H 5.244776 -0.997625 0.911251
H 5.829896 0.411049 -0.025845
H 5.228403 -1.045191 -0.878213


