%chk=000161776.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161776

0 1
 O    4.093400       1.665900      -1.202000    
 N   0.9870000      -2.469800     -0.2030000    
 N   -4.448600      9.2600003E-02  0.1880000    
 N    5.089000       1.927500      0.8543000    
 C   0.1658000     -0.1023000     -0.4335000    
 C  -0.1341000      -1.558200      0.1351000    
 C    1.504600      0.4121000      0.1124000    
 C    2.624300     -0.5921000     -0.1698000    
 C   -1.527000      -2.113800     -0.3541000    
 C    2.255300      -1.979900      0.3656000    
 C  -0.9944000      0.8413000     -0.1626000    
 C   -2.266600      0.2640000     -6.3100003E-02
 C   -2.600700      -1.102400     -0.1406000    
 C    3.942000     -0.1117000      0.4376000    
 C   0.7613000      -3.844400      0.2539000    
 C   -3.416000       1.004000      0.1406000    
 C  -0.9453000       2.238800     -7.5499997E-02
 C   -3.964400      -1.188100      1.5400000E-02
 C   -3.374800       2.392900      0.2518000    
 C   -2.111100       2.993100      0.1350000    
 C    4.360300       1.230600     -8.5600004E-02
 H   0.2495000     -0.1791000      -1.527900    
 H  -0.2003000      -1.474200       1.232100    
 H    1.736800       1.376600     -0.3495000    
 H    1.422200      0.5912000       1.193100    
 H    2.750100     -0.6656000      -1.259600    
 H    3.064600      -2.670900      9.6000001E-02
 H    2.201900      -1.961000       1.462900    
 H   -1.791400      -3.023800      0.1960000    
 H   -1.475400      -2.362200      -1.421300    
 H    4.745800     -0.8192000      0.2003000    
 H    3.852500     -7.8699999E-02   1.530800    
 H    1.639500      -4.469700      5.3500000E-02
 H  -6.0199998E-02  -4.315800     -0.2941000    
 H   0.5470000      -3.891900       1.327500    
 H  -2.0000001E-03   2.768400     -0.1735000    
 H   -4.639200      -2.032400      2.3499999E-02
 H   -5.421900      0.3266000      0.3261000    
 H   -4.269300       2.983900      0.4108000    
 H   -2.033900       4.076200      0.2039000    
 H    5.310300       1.550100       1.770300    
 H    5.442900       2.856500      0.6513000    


%chk=000161776-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000161776

0 1
O 4.570699 1.237916 -1.437207
N 0.972547 -2.463452 -0.160631
N -4.524721 0.103704 0.123478
N 5.029690 2.097969 0.664791
C 0.162015 -0.108383 -0.371745
C -0.163668 -1.551134 0.170665
C 1.508758 0.400118 0.188847
C 2.645720 -0.600390 -0.099992
C -1.506209 -2.115261 -0.397499
C 2.251227 -1.992472 0.427028
C -0.995667 0.857280 -0.108542
C -2.281708 0.277753 -0.062440
C -2.614594 -1.113763 -0.189960
C 3.989656 -0.144063 0.515697
C 0.736159 -3.880117 0.195994
C -3.474840 1.033250 0.134175
C -0.933109 2.255799 0.056817
C -3.999364 -1.197819 -0.067895
C -3.412894 2.437942 0.291118
C -2.126442 3.022525 0.250305
C 4.541202 1.109235 -0.177756
H 0.277307 -0.223366 -1.472106
H -0.280762 -1.465827 1.286778
H 1.754139 1.380160 -0.261482
H 1.413095 0.555734 1.284778
H 2.784269 -0.672689 -1.195877
H 3.037641 -2.724992 0.160851
H 2.194944 -1.958479 1.550557
H -1.753721 -3.074095 0.091787
H -1.352131 -2.328911 -1.475614
H 4.743888 -0.945730 0.379649
H 3.880032 0.020470 1.606232
H 1.646373 -4.460942 -0.036924
H -0.086423 -4.305440 -0.400735
H 0.499352 -4.032190 1.280293
H 0.028006 2.780710 0.034661
H -4.661566 -2.061499 -0.098819
H -5.511729 0.320832 0.238821
H -4.305409 3.055757 0.438768
H -2.038420 4.109001 0.368209
H 4.992939 2.012564 1.678565
H 5.433217 2.937397 0.248460


