%chk=000130058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130058

0 1
 O    2.385500      -1.711100     -0.5653000    
 O    3.650100      2.8200001E-02  0.5226000    
 N   -1.670800      0.9764000     -0.5808000    
 C   -2.686600      -1.063500      0.3719000    
 C   -2.563900     -0.1285000     -0.8393000    
 C  -0.3162000      0.7677000     -0.2869000    
 C   -3.198300     -0.3319000       1.613900    
 C   -3.557400      -2.284400      7.0000000E-02
 C   -2.205100       2.337700     -0.6445000    
 C   0.2982000     -0.4464000     -0.6242000    
 C    1.633300     -0.6050000     -0.3141000    
 C   0.4313000       1.780900      0.3500000    
 C    2.355500      0.3881000      0.3071000    
 C    1.782400       1.594500      0.6527000    
 C    3.662100      -1.302500     -3.3100002E-02
 H   -1.705300      -1.467000      0.6417000    
 H   -2.242000     -0.6831000      -1.729400    
 H   -3.567900      0.2382000      -1.090100    
 H   -4.177400      0.1224000       1.427600    
 H   -3.305100      -1.024600       2.455800    
 H   -2.510700      0.4584000       1.930400    
 H   -4.582800      -1.986300     -0.1733000    
 H   -3.595900      -2.961200      0.9301000    
 H   -3.155700      -2.845500     -0.7803000    
 H   -3.193300       2.360100      -1.116700    
 H   -1.558800       2.989600      -1.242800    
 H   -2.317300       2.756000      0.3613000    
 H  -0.2146000      -1.251900      -1.136800    
 H  -1.7400000E-02   2.728100      0.6367000    
 H    2.354400       2.372800       1.144900    
 H    4.405900      -1.340300     -0.8373000    
 H    3.956900      -2.008100      0.7522000    


%chk=000130058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130058

0 1
O 2.548615 -1.806316 -0.209415
O 3.927868 0.066797 0.366192
N -1.601903 0.942729 -0.393756
C -2.902173 -1.095632 0.452264
C -2.472059 -0.193536 -0.743001
C -0.221227 0.768915 -0.193299
C -3.728341 -0.302933 1.489299
C -3.688067 -2.317300 -0.077925
C -2.185670 2.282748 -0.269396
C 0.386116 -0.529770 -0.337251
C 1.763566 -0.620762 -0.158428
C 0.612921 1.884054 0.144907
C 2.573767 0.484587 0.168421
C 2.014014 1.750537 0.332294
C 3.954154 -1.316998 -0.159125
H -1.982344 -1.458973 0.953093
H -1.973465 -0.820342 -1.510823
H -3.387060 0.208198 -1.220701
H -4.674103 0.064406 1.043490
H -3.990251 -0.939113 2.354673
H -3.162469 0.566749 1.868146
H -4.614609 -1.996976 -0.593701
H -3.981649 -2.987979 0.750009
H -3.088096 -2.909021 -0.795344
H -3.265769 2.229543 -0.477464
H -1.731381 2.997877 -0.986830
H -2.060713 2.702576 0.750680
H -0.191118 -1.423795 -0.576911
H 0.175284 2.877449 0.263772
H 2.627486 2.615104 0.599699
H 4.363127 -1.311307 -1.189461
H 4.528648 -1.953714 0.529895


