%chk=000100639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100639

0 1
 O    5.855000      0.4386000     -3.3900000E-02
 O    4.645000      -1.494100      0.1423000    
 N   -1.753600     -0.5253000      4.6900000E-02
 N  -0.8978000       2.111200     -0.1877000    
 N    1.863700     -0.9791000      9.3699999E-02
 N    3.612300      0.6018000     -4.8500001E-02
 N   0.1008000      -2.550800      0.2311000    
 C  -0.4429000     -0.2214000      2.1900000E-02
 C  -7.8999996E-03   1.106800     -9.6299998E-02
 C   -2.627000      0.4934000     -4.5699999E-02
 C   -4.022300      0.1370000     -1.8400000E-02
 C   0.5312000      -1.202800      0.1115000    
 C    1.356500       1.364700     -0.1172000    
 C    2.244400      0.3062000     -2.0900000E-02
 C   -2.205300       1.792400     -0.1613000    
 C   -4.965900       1.026300      0.5046000    
 C   -4.442800      -1.100400     -0.5154000    
 C   -6.317200      0.6815000      0.5308000    
 C   -5.794200      -1.445200     -0.4893000    
 C   -6.731400     -0.5541000      3.3799998E-02
 C    4.687800     -0.2750000      3.0999999E-02
 C    7.064200     -0.3260000      3.6300000E-02
 C    8.247600      0.6142000     -4.9199998E-02
 H    1.712800       2.387800     -0.2088000    
 H   -2.872200       2.640300     -0.2609000    
 H   -4.683500       1.989300      0.9223000    
 H   -3.739400      -1.813600     -0.9389000    
 H    3.855200       1.585700     -0.1378000    
 H   -7.046800       1.372800      0.9426000    
 H   -6.117400      -2.406500     -0.8780000    
 H   0.8211000      -3.260200      0.2858000    
 H  -0.7968000      -2.803300     -0.1639000    
 H   -7.783400     -0.8230000      5.4800000E-02
 H    7.094600     -0.8740000      0.9846000    
 H    7.095100      -1.036700     -0.7969000    
 H    9.190200      6.2199999E-02  1.5000000E-03
 H    8.220800       1.183300     -0.9843000    
 H    8.220300       1.343300      0.7673000    


%chk=000100639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100639

0 1
O 5.928692 0.432010 -0.019302
O 4.756542 -1.612175 0.023177
N -1.769819 -0.548120 -0.005091
N -0.895777 2.184067 -0.066224
N 1.889004 -1.018794 0.004592
N 3.687368 0.536250 -0.018871
N 0.143410 -2.580892 0.033762
C -0.440395 -0.221790 -0.015622
C 0.032110 1.141276 -0.035772
C -2.673304 0.471990 -0.015793
C -4.119686 0.138373 -0.003438
C 0.563008 -1.278908 0.006636
C 1.426123 1.399157 -0.034755
C 2.299649 0.288241 -0.016163
C -2.194394 1.836757 -0.058296
C -5.107836 1.097193 0.356654
C -4.544155 -1.173577 -0.354539
C -6.476566 0.754345 0.357704
C -5.910947 -1.514409 -0.353425
C -6.886059 -0.551112 0.000985
C 4.755467 -0.366830 -0.001919
C 7.206142 -0.332120 -0.003548
C 8.333977 0.694566 -0.036553
H 1.781363 2.432856 -0.051560
H -2.906668 2.666790 -0.112780
H -4.816372 2.107774 0.662174
H -3.782959 -1.909782 -0.629768
H 3.975910 1.516884 -0.036975
H -7.222719 1.503839 0.643748
H -6.219165 -2.528265 -0.632061
H 0.836825 -3.325424 0.055551
H -0.858390 -2.767857 0.051543
H -7.949333 -0.815047 0.001194
H 7.230914 -0.955951 0.908659
H 7.223515 -1.005540 -0.879895
H 9.310310 0.176658 -0.024882
H 8.279551 1.311747 -0.949759
H 8.285466 1.363121 0.840111


