%chk=000100292.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100292

0 1
 O    2.069300      -2.186200      0.1932000    
 O    1.356400       2.498400     -0.2054000    
 N   -2.181200      -1.986300      7.2499998E-02
 N    1.810000      0.1710000     -6.2000002E-03
 N  -0.4199000       1.092000     -3.8400002E-02
 C  -7.2200000E-02  -1.301100      5.3399999E-02
 C  -0.9138000     -0.1847000      1.0600000E-02
 C   -2.217000     -0.6128000      2.2500001E-02
 C  -0.8751000      -2.418000      9.4200000E-02
 C    1.363700      -1.190000      6.8499997E-02
 C   -3.460400      0.1190000     -8.8000000E-03
 C   0.9552000       1.337400     -7.3799998E-02
 C  -0.5531000      -3.856500      0.1537000    
 C    3.241300      0.3964000     -1.2500000E-02
 C   -4.057900      0.4278000      -1.230600    
 C   -4.063500      0.5182000       1.183600    
 C    4.082300     -0.5628000     -0.5594000    
 C    3.750900       1.569000      0.5277000    
 C   -5.259200       1.136100      -1.260100    
 C   -5.264800       1.226500       1.154300    
 C   -5.862600       1.535500     -6.7599997E-02
 C    5.460100     -0.3452000     -0.5662000    
 C    5.128600       1.786700      0.5209000    
 C    5.983200      0.8295000     -2.6000001E-02
 H   -2.992900      -2.588900      9.3000002E-02
 H   -1.075000       1.866300     -8.1600003E-02
 H   -1.453700      -4.479000      0.1284000    
 H   7.4800000E-02  -4.144700     -0.6955000    
 H  -1.1400000E-02  -4.089600       1.076000    
 H   -3.600000      0.1241000      -2.169100    
 H   -3.610200      0.2858000       2.144400    
 H    3.732600      -1.450900      -1.073300    
 H    3.151700       2.304700       1.051800    
 H   -5.724600       1.376900      -2.211300    
 H   -5.734800       1.537600       2.082600    
 H   -6.797900       2.087100     -9.0499997E-02
 H    6.125000      -1.081000      -1.009400    
 H    5.538600       2.691700      0.9599000    
 H    7.055900      0.9988000     -3.0999999E-02


%chk=000100292-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100292

0 1
O 2.199203 -2.157739 0.231838
O 1.463699 2.494796 -0.307090
N -2.187467 -2.016021 0.208418
N 1.842733 0.169557 -0.034971
N -0.375243 1.090157 -0.149544
C -0.066184 -1.323480 0.131087
C -0.930658 -0.182763 -0.004489
C -2.260106 -0.609656 0.042772
C -0.879102 -2.469788 0.264156
C 1.380956 -1.199840 0.118959
C -3.545305 0.132249 -0.041095
C 1.003631 1.327970 -0.171633
C -0.512062 -3.913168 0.439691
C 3.282940 0.401547 -0.047217
C -4.173230 0.358149 -1.296812
C -4.165610 0.639619 1.133734
C 4.079740 -0.210436 -1.039265
C 3.871162 1.223647 0.938830
C -5.391964 1.069255 -1.375322
C -5.384031 1.351136 1.055844
C -6.000045 1.566355 -0.199039
C 5.475488 0.001866 -1.042042
C 5.266058 1.439350 0.926076
C 6.072102 0.828306 -0.062075
H -3.011975 -2.612522 0.276589
H -0.960511 1.920436 -0.253399
H -1.407488 -4.560371 0.462209
H 0.148468 -4.251810 -0.377396
H 0.055220 -4.065521 1.375107
H -3.697168 -0.022374 -2.207689
H -3.683703 0.476082 2.104423
H 3.613087 -0.855432 -1.789326
H 3.241407 1.701087 1.695316
H -5.863379 1.238091 -2.349794
H -5.849163 1.738564 1.968994
H -6.943725 2.119784 -0.260239
H 6.094271 -0.476715 -1.808900
H 5.721182 2.083638 1.686180
H 7.155172 0.994794 -0.068386


