%chk=000029611.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029611

0 1
 O    6.199400     -2.1299999E-02 -0.2794000    
 N   -5.340100      1.0800000E-02  0.1560000    
 N    4.938400     -9.8000001E-03 -9.9900000E-02
 N   0.7891000      2.7100001E-02  0.4849000    
 N   0.2043000     -3.4200002E-02 -0.6207000    
 C    2.177600      1.4900000E-02  0.2897000    
 C    2.868100       1.210800      0.1255000    
 C    2.865400      -1.193200      0.2594000    
 C   -3.943300     -1.9999999E-04 -3.9500002E-02
 C    4.245300       1.184800     -6.8200000E-02
 C    4.242700      -1.192100      6.4300001E-02
 C   -1.187500     -2.2200000E-02 -0.4256000    
 C   -3.252200       1.200400     -0.2034000    
 C   -3.252800      -1.211900     -6.8999998E-02
 C    2.164500       2.526700      0.1512000    
 C    2.158800      -2.496400      0.4311000    
 C   -1.870900       1.189300     -0.3970000    
 C   -1.871400      -1.222900     -0.2625000    
 C   -5.980000       1.131700      0.8155000    
 C   -6.155400      -1.092200     -0.3124000    
 H    4.861300       2.062400     -0.2057000    
 H    4.856700      -2.080800      2.5400000E-02
 H   -3.761000       2.160100     -0.1977000    
 H   -3.759000      -2.163300      6.7199998E-02
 H    2.872200       3.363100      0.1595000    
 H    1.530000       2.637400     -0.7340000    
 H    1.548100       2.619900       1.051600    
 H    2.864500      -3.328300      0.5324000    
 H    1.542400      -2.487700       1.336200    
 H    1.524000      -2.703600     -0.4364000    
 H   -1.340400       2.128700     -0.5271000    
 H   -1.340600      -2.171000     -0.2821000    
 H   -5.401000       1.471900       1.681500    
 H   -6.972200      0.8555000       1.189700    
 H   -6.111100       1.967700      0.1204000    
 H   -5.842800      -1.427600      -1.307800    
 H   -7.207900     -0.7987000     -0.3951000    
 H   -6.103000      -1.936200      0.3833000    


%chk=000029611-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029611

0 1
O 6.459676 -0.072569 -0.064635
N -5.516893 0.095596 0.245740
N 5.126102 -0.044428 -0.005835
N 0.892649 0.108703 0.340099
N 0.083031 -0.280294 -0.632956
C 2.279771 0.010873 0.108362
C 3.084150 0.446467 1.224201
C 2.961271 -0.457077 -1.077877
C -4.138866 0.013480 0.054218
C 4.476155 0.407590 1.139321
C 4.361331 -0.466186 -1.089048
C -1.295168 -0.151714 -0.329547
C -3.586258 -0.488032 -1.171310
C -3.221343 0.430113 1.081344
C 2.444647 0.951065 2.500985
C 2.263241 -0.945245 -2.329894
C -2.199084 -0.564420 -1.349205
C -1.839073 0.348553 0.892985
C -6.436355 -0.338169 -0.816313
C -6.061499 0.610317 1.511216
H 5.146119 0.719616 1.940901
H 4.952129 -0.802683 -1.942327
H -4.242829 -0.817105 -1.980762
H -3.602918 0.819309 2.029519
H 3.212010 1.232605 3.242584
H 1.804910 1.827369 2.298010
H 1.787433 0.180918 2.940304
H 3.003875 -1.241310 -3.094174
H 1.603370 -1.800824 -2.107785
H 1.600563 -0.166359 -2.743465
H -1.777307 -0.947509 -2.284825
H -1.146262 0.666608 1.678206
H -6.291454 0.246337 -1.746766
H -7.475627 -0.193084 -0.483465
H -6.302348 -1.411015 -1.060670
H -5.745258 -0.007447 2.375327
H -7.161469 0.594930 1.468635
H -5.742220 1.654621 1.700202


