%chk=000087663.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087663

0 1
 O   0.3171000       1.861800     -0.6998000    
 N   -3.880000     -1.3000000E-03  0.6786000    
 N   -1.857300       1.973300      -1.432500    
 N  -0.7317000     -0.1146000      -1.029800    
 C   -4.014100       1.445800      0.5637000    
 C   -4.238900       1.886800     -0.8858000    
 C   -3.138300       1.462800      -1.857700    
 C   -3.607600     -0.3857000       2.064800    
 C   -5.088500     -0.6712000      0.1946000    
 C   -2.356300      0.2985000       2.588500    
 C   -4.937000      -2.182100      0.2466000    
 C  -0.8013000       1.189300      -1.068200    
 C    1.190800      0.8624000     -0.3946000    
 C   0.5504000     -0.3349000     -0.5960000    
 C    2.492800       1.280600      3.8400002E-02
 C    1.114400      -1.632800     -0.3913000    
 C    3.611100      0.4785000     -0.2137000    
 C    2.655900       2.493300      0.7169000    
 C    1.006900      -2.258000      0.8544000    
 C    1.776900      -2.284600      -1.435500    
 C    4.877300      0.8841000      0.2080000    
 C    3.922300       2.898700       1.138300    
 C    1.557400      -3.523900       1.054300    
 C    2.327300      -3.550600      -1.235500    
 C    5.032900       2.094100      0.8838000    
 C    2.217400      -4.170200      9.3999999E-03
 H   -3.117400       1.968600      0.9097000    
 H   -4.846600       1.814200       1.178000    
 H   -5.216500       1.571200      -1.265300    
 H   -4.284800       2.985200     -0.8833000    
 H   -3.363700       1.877100      -2.847300    
 H   -3.125400      0.3734000      -1.977800    
 H   -4.453700     -0.1616000       2.726600    
 H   -3.407300      -1.459900       2.133900    
 H   -5.979400     -0.3679000      0.7588000    
 H   -5.272900     -0.4403000     -0.8585000    
 H   -1.757000       2.984800      -1.411900    
 H   -1.520800      0.2187000       1.886200    
 H   -2.522500       1.352400       2.831400    
 H   -2.040400     -0.1851000       3.520100    
 H   -3.989900      -2.510400     -0.1952000    
 H   -5.010700      -2.575800       1.264900    
 H   -5.744100      -2.651600     -0.3272000    
 H    3.548600     -0.4514000     -0.7639000    
 H    1.807200       3.137100      0.9357000    
 H   0.4949000      -1.768700       1.680000    
 H    1.870000      -1.817200      -2.413300    
 H    5.743600      0.2617000      3.3000000E-03
 H    4.043700       3.840200       1.666100    
 H    1.471900      -4.006500       2.023500    
 H    2.841100      -4.054100      -2.049100    
 H    6.019000       2.410500       1.210600    
 H    2.646000      -5.156000      0.1650000    


%chk=000087663-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087663

0 1
O 0.577037 1.892273 -0.335844
N -4.647531 0.014223 0.650372
N -1.666890 1.812736 -1.063909
N -0.266500 -0.177001 -0.879249
C -4.391435 1.462025 0.441359
C -4.158843 1.797862 -1.050883
C -2.871602 1.157433 -1.606664
C -4.170087 -0.492781 1.966699
C -6.063089 -0.355791 0.375304
C -2.635368 -0.569551 2.074116
C -6.236856 -1.831328 -0.034507
C -0.516254 1.127689 -0.796882
C 1.627885 0.919845 -0.120802
C 1.079332 -0.329377 -0.428344
C 2.922147 1.485953 0.254144
C 1.631577 -1.692617 -0.312507
C 4.146374 0.827095 -0.061394
C 2.982512 2.749254 0.913186
C 2.637020 -2.032119 0.634629
C 1.097554 -2.720387 -1.138555
C 5.382657 1.401219 0.296745
C 4.222848 3.320940 1.262446
C 3.116104 -3.355570 0.728199
C 1.581486 -4.041849 -1.045491
C 5.431355 2.648778 0.964063
C 2.597590 -4.366359 -0.115949
H -3.484674 1.743843 1.005873
H -5.225772 2.092512 0.838400
H -5.011825 1.432997 -1.654934
H -4.131874 2.900631 -1.183115
H -2.865561 1.202925 -2.715462
H -2.840765 0.096226 -1.307048
H -4.581361 0.118929 2.811365
H -4.578241 -1.512012 2.093172
H -6.718413 -0.127362 1.254969
H -6.425254 0.281664 -0.453217
H -1.617760 2.831932 -1.046743
H -2.218005 -1.162277 1.242067
H -2.161137 0.428272 2.044057
H -2.345218 -1.043736 3.030212
H -5.625243 -2.052015 -0.926711
H -5.925617 -2.523555 0.768284
H -7.296932 -2.045259 -0.267338
H 4.127361 -0.121803 -0.606191
H 2.050022 3.273020 1.145665
H 3.025757 -1.266830 1.314275
H 0.297847 -2.461508 -1.839349
H 6.312095 0.879834 0.041220
H 4.246833 4.291521 1.770877
H 3.886493 -3.600882 1.468129
H 1.163724 -4.820061 -1.694324
H 6.394672 3.092455 1.238517
H 2.972624 -5.393356 -0.042028


