%chk=000090247.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090247

0 1
 O   0.5464000       2.643400     -2.7999999E-03
 N   0.9478000      0.4234000     -7.9999998E-04
 N    1.488400      -1.741300     -1.0000000E-03
 C   -1.845600     -6.6100001E-02   0.000000    
 C  -0.9462000      -1.161000     -5.0000002E-04
 C   0.4902000     -0.8831000     -8.9999998E-04
 C   -1.394200       1.274100     -3.0000001E-04
 C    2.326900      0.3822000     -9.9999997E-05
 C   7.2700001E-02   1.517000     -8.9999998E-04
 C   -3.237500     -0.3113000      7.9999998E-04
 C    2.630600     -0.9791000     -5.0000002E-04
 C   -1.430800      -2.472400     -6.9999998E-04
 C   -2.287400       2.345800       0.000000    
 C   -3.700200      -1.636700      1.0000000E-03
 C   -4.127800      0.7760000      1.3000000E-03
 C    3.320900       1.368600      1.2000001E-03
 C   -2.803900      -2.706300      1.9999999E-04
 C   -3.655600       2.090800      7.9999998E-04
 C    3.974900      -1.390400     -1.9999999E-04
 C    4.653200      0.9412000      2.2000000E-03
 C    4.977100     -0.4148000      1.2000001E-03
 H  -0.7515000      -3.321000     -1.3000000E-03
 H   -1.938200       3.374100     -1.9999999E-04
 H   -4.767400      -1.848900      1.7000000E-03
 H   -5.203000      0.6079000      2.0000001E-03
 H    3.084200       2.426400      1.8000000E-03
 H   -3.179300      -3.725700      1.9999999E-04
 H   -4.360600       2.917400      1.2000001E-03
 H    4.235400      -2.444200     -6.0000003E-04
 H    5.449600       1.681400      3.3000000E-03
 H    6.020600     -0.7188000      1.6000000E-03


%chk=000090247-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090247

0 1
O 0.576082 2.751259 0.000498
N 0.929442 0.439695 0.000659
N 1.496246 -1.794281 0.000103
C -1.852292 -0.076871 0.000408
C -0.948035 -1.195787 0.000386
C 0.478404 -0.919736 0.000444
C -1.369667 1.278517 0.000572
C 2.345931 0.395411 0.000561
C 0.088485 1.585174 0.000905
C -3.275719 -0.320864 0.000199
C 2.670676 -1.004240 0.000174
C -1.446267 -2.510645 0.000148
C -2.277773 2.350475 0.000509
C -3.750439 -1.673566 0.000008
C -4.170307 0.798813 0.000175
C 3.329239 1.401202 0.000753
C -2.849515 -2.745460 -0.000019
C -3.680400 2.110069 0.000325
C 4.020011 -1.417870 -0.000043
C 4.674849 0.965899 0.000559
C 5.015064 -0.417029 0.000169
H -0.733869 -3.341481 0.000107
H -1.877952 3.369969 0.000642
H -4.831134 -1.856549 -0.000139
H -5.250812 0.612516 0.000017
H 3.058122 2.458471 0.001032
H -3.222466 -3.774757 -0.000201
H -4.374339 2.956653 0.000315
H 4.270706 -2.482655 -0.000325
H 5.475924 1.713061 0.000710
H 6.071505 -0.706793 0.000046


