%chk=000160658.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160658

0 1
 O   -3.788400      -1.767400     -1.9999999E-04
 O   -1.703000      -2.466600     -8.9999998E-04
 N   0.1660000     -0.9019000      3.9999999E-04
 N   0.9835000       1.728100     -3.9999999E-04
 N   -2.555700      -1.550100     -9.9999997E-05
 C  -0.7393000      8.9299999E-02  1.9999999E-04
 C  -0.3242000       1.424900       0.000000    
 C    1.473800     -0.5986000      1.9999999E-04
 C    1.888800      0.7371000     -3.9999999E-04
 C   -2.102500     -0.1991000       0.000000    
 C   -1.283800       2.435100      1.9999999E-04
 C   -3.057400      0.8160000      9.9999997E-05
 C    2.433400      -1.608900      7.9999998E-04
 C    3.252100       1.025300     -7.9999998E-04
 C   -2.645800       2.140300      5.0000002E-04
 C    3.795400      -1.314000      6.0000003E-04
 C    4.207000      1.0300000E-02 -3.0000001E-04
 H  -0.9728000       3.478000      3.0000001E-04
 H   -4.125400      0.6159000      9.9999997E-05
 H    2.122300      -2.651700      1.4000000E-03
 H   -3.377400       2.942500      6.0000003E-04
 H    3.587100       2.060700     -1.3000000E-03
 H    4.527500      -2.115600      1.1000000E-03
 H    5.264500      0.2557000     -6.0000003E-04


%chk=000160658-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160658

0 1
O -4.053609 -1.687327 0.002405
O -1.992891 -2.644418 -0.003017
N 0.199090 -0.989923 0.000442
N 1.012960 1.784731 -0.000354
N -2.755905 -1.613600 -0.000238
C -0.729472 0.012330 0.000012
C -0.309752 1.424538 -0.000196
C 1.520208 -0.626417 0.000330
C 1.938068 0.775818 -0.000198
C -2.160774 -0.239099 0.000056
C -1.284168 2.478476 -0.000150
C -3.075899 0.815283 0.000240
C 2.521607 -1.655878 0.000743
C 3.338483 1.094705 -0.000403
C -2.640856 2.176396 0.000140
C 3.870287 -1.311185 0.000541
C 4.280562 0.070524 -0.000051
H -0.910959 3.506876 -0.000328
H -4.140996 0.568781 0.000362
H 2.180165 -2.695186 0.001154
H -3.389386 2.974314 0.000221
H 3.623797 2.151028 -0.000821
H 4.635630 -2.094581 0.000819
H 5.349510 0.309115 -0.000209


