%chk=000163785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163785

0 1
 O   -1.278000     -0.9482000     -3.2299999E-02
 N    1.566000     -0.9798000     -1.2900000E-02
 N  -7.6000001E-03   2.356200     -7.1999999E-03
 C    1.260900      0.3595000     -8.2000000E-03
 C    2.465900       1.061200      3.7000000E-03
 C    3.520900      9.4499998E-02  6.6999998E-03
 C    2.928200      -1.168800     -3.4000000E-03
 C   3.0500000E-02   1.003800     -1.3600000E-02
 C    2.421800       2.464200      1.0200000E-02
 C    4.929100      0.1789000      1.7400000E-02
 C   -1.235500      0.3032000     -2.6699999E-02
 C    3.672700      -2.354100     -3.1999999E-03
 C   -2.559000       1.095200     -3.2000002E-02
 C    1.158700       3.040500      4.0000002E-03
 C    5.686800     -0.9976000      1.7500000E-02
 C    5.065700      -2.244400      7.7000000E-03
 C   -3.801300      0.2389000     -8.9999996E-03
 C   -4.369200     -0.1677000      -1.206300    
 C   -4.353300     -0.1258000       1.209100    
 C   -5.517800     -0.9590000      -1.185200    
 C   -5.501700     -0.9171000       1.230400    
 C   -6.084100      -1.333600      3.3199999E-02
 H   0.8847000      -1.726200     -2.1500001E-02
 H    3.319100       3.072100      1.9500000E-02
 H    5.428200       1.143800      2.5500000E-02
 H    3.189700      -3.325500     -1.1100000E-02
 H   -2.572900       1.731400     -0.9259000    
 H   -2.564000       1.762100      0.8393000    
 H    1.051400       4.121000      8.5000005E-03
 H    6.771800     -0.9361000      2.5699999E-02
 H    5.672600      -3.146300      8.1000002E-03
 H   -3.934300      0.1170000      -2.160100    
 H   -3.905900      0.1917000       2.146600    
 H   -5.970800      -1.283900      -2.117200    
 H   -5.942300      -1.209500       2.179100    
 H   -6.978100      -1.950000      4.9899999E-02


%chk=000163785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163785

0 1
O -0.921562 -0.691500 -2.176497
N 1.575928 -0.837787 -1.020862
N -0.507344 2.049209 0.157322
C 1.063700 0.295294 -0.407562
C 2.055607 0.837950 0.488429
C 3.220170 -0.034408 0.392067
C 2.884214 -1.065772 -0.556146
C -0.207339 0.913283 -0.552782
C 1.718909 2.002082 1.206512
C 4.494037 -0.039630 1.007318
C -1.218799 0.337405 -1.481105
C 3.791711 -2.090275 -0.894716
C -2.604413 0.975007 -1.556694
C 0.430532 2.564712 1.002686
C 5.406149 -1.061717 0.672515
C 5.056088 -2.073093 -0.267199
C -3.559376 0.295392 -0.569884
C -4.255657 -0.883346 -0.940438
C -3.744662 0.824133 0.732864
C -5.131009 -1.515634 -0.028817
C -4.621345 0.192997 1.644006
C -5.318421 -0.978318 1.266174
H 1.019909 -1.362048 -1.703308
H 2.416914 2.475841 1.904028
H 4.770474 0.734523 1.731422
H 3.530021 -2.871319 -1.615599
H -2.968315 0.843002 -2.590289
H -2.519610 2.047465 -1.320130
H 0.136449 3.472701 1.539859
H 6.396847 -1.082361 1.138440
H 5.784264 -2.855391 -0.508303
H -4.107135 -1.304152 -1.941834
H -3.190824 1.723632 1.024973
H -5.667144 -2.423407 -0.328592
H -4.760602 0.614213 2.646317
H -5.999468 -1.467082 1.972127


