%chk=000047192.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047192

0 1
 O    2.856000      0.4136000      0.8252000    
 N   0.3703000       1.390700     -0.3536000    
 N    1.888400       1.638600      -2.200000    
 C    2.335400     -4.4000000E-03 -0.4268000    
 C    1.578300      -1.304500     -0.2711000    
 C    1.437300       1.087800      -1.020900    
 C   -1.688600       2.656700      1.9999999E-04
 C  -0.4801000       2.436700     -0.9054000    
 C   -2.524000       1.413000      0.1799000    
 C   0.9039000      -1.557400      0.9114000    
 C    1.575700      -2.214900      -1.314100    
 C    3.574700       1.635500      0.7124000    
 C   -3.564900       1.159800     -0.7000000    
 C   -2.236200      0.5452000       1.221900    
 C   0.2062000      -2.756600       1.055200    
 C   0.8778000      -3.414100      -1.170500    
 C   0.1930000      -3.684900      1.4300000E-02
 C    4.102000       2.025000       2.076900    
 C   -4.337400      1.0200000E-02 -0.5336000    
 C   -3.008600     -0.6043000       1.388300    
 C   -4.059200     -0.8718000      0.5105000    
 H    3.190500     -0.1853000      -1.092100    
 H   -2.311000       3.462800     -0.4088000    
 H   -1.354300       3.010800      0.9844000    
 H  -0.8268000       2.157000      -1.908200    
 H   7.2800003E-02   3.380900     -0.9809000    
 H   0.8933000     -0.8460000       1.731800    
 H    2.103800      -2.012000      -2.241300    
 H    4.411600       1.512200      1.5900001E-02
 H    2.933400       2.449900      0.3619000    
 H   -3.787700       1.839600      -1.517300    
 H   -1.423500      0.7453000       1.914300    
 H  -0.3292000      -2.966500       1.976600    
 H   0.8667000      -4.136500      -1.981400    
 H    2.750500       1.330900      -2.637700    
 H    1.379500       2.374800      -2.676500    
 H  -0.3513000      -4.618100      0.1257000    
 H    4.666100       2.960600       2.026500    
 H    3.278200       2.146800       2.788200    
 H    4.753800       1.241100       2.476300    
 H   -5.154900     -0.1984000      -1.217400    
 H   -2.792700      -1.290700       2.201800    
 H   -4.660400      -1.767000      0.6400000    


%chk=000047192-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047192

0 1
O 2.877877 0.464307 0.905341
N 0.478465 1.405048 -0.432397
N 1.679920 1.045525 -2.494576
C 2.512574 -0.012726 -0.421237
C 1.980584 -1.432856 -0.262502
C 1.460554 0.887238 -1.122848
C -1.628582 2.717855 -0.160538
C -0.509167 2.264637 -1.130741
C -2.691575 1.662112 0.122960
C 1.117611 -1.742819 0.817623
C 2.313856 -2.439583 -1.198698
C 3.435518 1.828925 0.924880
C -4.064418 1.950376 -0.090819
C -2.338534 0.372578 0.605258
C 0.595147 -3.046635 0.953595
C 1.782397 -3.743622 -1.067985
C 0.920360 -4.049983 0.009349
C 3.860704 2.113551 2.364835
C -5.062771 0.982950 0.170754
C -3.333365 -0.596485 0.862117
C -4.699857 -0.296679 0.648790
H 3.418803 -0.030377 -1.075210
H -2.120095 3.617873 -0.578103
H -1.132147 3.022961 0.781247
H -0.977561 1.740755 -1.997549
H -0.003597 3.173608 -1.533920
H 0.885434 -0.958677 1.544358
H 2.999095 -2.214329 -2.026563
H 4.306007 1.885650 0.231999
H 2.663001 2.547565 0.586002
H -4.354695 2.941577 -0.462919
H -1.279798 0.143014 0.762859
H -0.064172 -3.283131 1.796771
H 2.047844 -4.517804 -1.796839
H 2.465191 0.591289 -2.955711
H 0.990613 1.512143 -3.079892
H 0.511549 -5.061244 0.115919
H 4.283819 3.131581 2.447226
H 2.990864 2.040025 3.039914
H 4.620910 1.386581 2.699014
H -6.118041 1.227257 0.000857
H -3.041629 -1.588320 1.227869
H -5.470297 -1.049615 0.851512


