%chk=000173628.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173628

0 1
 O   -1.571200      -1.262100     -0.7139000    
 N   -3.445100     -0.1214000      3.3900000E-02
 C   -1.198300      0.9172000      0.2364000    
 C   -4.407500      -1.162400     -0.3195000    
 C   -4.019700       1.070800      0.6452000    
 C   -2.071200     -0.2588000     -0.1975000    
 C   0.2583000      0.7056000     -0.1106000    
 C   -4.616000      -2.136100      0.8219000    
 C   -4.395500       2.103000     -0.3978000    
 C    1.166300      0.1384000      0.7080000    
 C   0.6792000       1.223300      -1.461700    
 C    2.591100     -3.7200000E-02  0.4090000    
 C    3.020000      -1.193400     -0.2303000    
 C    3.494500      0.9549000      0.7681000    
 C    4.375300      -1.360300     -0.5153000    
 C    4.849700      0.7881000      0.4829000    
 C    5.290000     -0.3696000     -0.1588000    
 H   -1.278900       1.016000       1.325500    
 H   -1.546600       1.849700     -0.2143000    
 H   -5.354700     -0.7030000     -0.6215000    
 H   -4.020100      -1.711800      -1.185000    
 H   -4.907200      0.7834000       1.221000    
 H   -3.328000       1.514400       1.364900    
 H   -3.674100      -2.615800       1.108200    
 H   -5.013700      -1.631000       1.708000    
 H   -5.322800      -2.919200      0.5305000    
 H   -3.540500       2.404500      -1.009200    
 H   -5.160100       1.713700      -1.078200    
 H   -4.801000       2.998200      8.4200002E-02
 H   0.8572000     -0.2198000       1.687100    
 H   6.7000002E-02  0.7594000      -2.242800    
 H    1.722600       1.036600      -1.725900    
 H   0.5232000       2.306800      -1.508300    
 H    2.317700      -1.973200     -0.5137000    
 H    3.164900       1.861800       1.268500    
 H    4.718200      -2.261500      -1.015000    
 H    5.562100       1.559400      0.7603000    
 H    6.345200     -0.4994000     -0.3809000    


%chk=000173628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173628

0 1
O -1.763669 -1.397473 -0.675405
N -3.493993 -0.036854 0.061093
C -1.146539 0.836317 0.184192
C -4.473984 -1.104196 -0.263574
C -4.028027 1.214808 0.641732
C -2.146166 -0.287809 -0.184085
C 0.265458 0.563962 -0.314407
C -4.721007 -2.059064 0.923746
C -4.524062 2.219099 -0.424543
C 1.283369 0.462173 0.596515
C 0.417687 0.485591 -1.820007
C 2.720417 0.189339 0.372772
C 3.214279 -0.632665 -0.682275
C 3.668241 0.730442 1.290732
C 4.598114 -0.870757 -0.828992
C 5.050850 0.497566 1.141863
C 5.525303 -0.301374 0.074528
H -1.140964 0.951433 1.286277
H -1.513186 1.795903 -0.236814
H -5.417636 -0.619775 -0.578401
H -4.072986 -1.674665 -1.117957
H -4.864085 0.944792 1.315422
H -3.259689 1.687702 1.275593
H -3.784824 -2.576973 1.192076
H -5.090594 -1.515231 1.812908
H -5.474055 -2.821911 0.652945
H -3.696125 2.541283 -1.080877
H -5.304898 1.766974 -1.061781
H -4.952935 3.116547 0.058264
H 1.017708 0.619902 1.653798
H 0.116516 -0.515962 -2.180189
H 1.449846 0.690437 -2.147921
H -0.253967 1.215988 -2.311482
H 2.509321 -1.124247 -1.358734
H 3.307870 1.348529 2.122855
H 4.952476 -1.514508 -1.642375
H 5.757642 0.932946 1.857620
H 6.598594 -0.489070 -0.041712


