%chk=000111554.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111554

1 1
 O    2.611600     -0.2882000      0.5324000    
 N  -0.6581000       1.381600     -0.1360000    
 N    5.561100      -1.375100      -1.332600    
 C   0.4004000      0.2901000     -0.2010000    
 C   -1.856600      0.9773000     -0.9825000    
 C   -1.098900       1.575300       1.307700    
 C  -7.7600002E-02   2.683900     -0.6682000    
 C    1.604400      0.7112000      0.6183000    
 C   -2.493800     -0.3020000     -0.5261000    
 C   -2.150900       2.661200       1.366200    
 C   0.3586000       2.485200      -2.103300    
 C   -2.057000      -1.513900      -1.049700    
 C   -3.515100     -0.2647000      0.4169000    
 C    3.762500      6.4999998E-02   1.287600    
 C   -2.649200      -2.703400     -0.6254000    
 C   -4.107100      -1.454400      0.8413000    
 C   -3.674000      -2.673600      0.3201000    
 C    4.810400      -1.032400       1.165400    
 C    5.229300      -1.223000     -0.2311000    
 H  -1.0000000E-03 -0.6175000      0.2623000    
 H   0.6475000      3.9400000E-02  -1.236600    
 H   -2.570700       1.801500      -1.069500    
 H   -1.503700      0.7941000      -2.002900    
 H   -1.431000      0.6231000       1.729300    
 H  -0.2498000       1.928400       1.898900    
 H  -0.8728000       3.436700     -0.6767000    
 H   0.7128000       3.057100     -1.2900000E-02
 H    2.057500       1.634000      0.2516000    
 H    1.364900      0.8218000       1.678200    
 H   -2.996200       2.587000      0.6860000    
 H   -1.711500       3.657500       1.247600    
 H   -2.580600       2.661900       2.376100    
 H  -0.4601000       2.291200      -2.799600    
 H    1.144200       1.739800      -2.239900    
 H   0.7995000       3.429200      -2.449700    
 H   -1.267700      -1.555500      -1.795100    
 H   -3.900000      0.6646000      0.8176000    
 H    4.167800       1.015500      0.9191000    
 H    3.488000      0.1862000       2.342000    
 H   -2.314100      -3.652600      -1.033200    
 H   -4.910600      -1.431200       1.571700    
 H   -4.136600      -3.599700      0.6488000    
 H    4.395900      -1.976200       1.538400    
 H    5.678800     -0.7833000       1.784500    


%chk=000111554-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111554

1 1
O 2.371906 -0.329322 1.621893
N -0.557245 1.439296 -0.007999
N 3.274188 -0.083179 -1.816455
C 0.517690 0.389811 0.336163
C -1.577387 0.792628 -1.023741
C -1.282239 1.841564 1.303761
C 0.068853 2.693491 -0.672270
C 1.743884 0.902620 1.120053
C -2.290233 -0.449149 -0.532365
C -2.290389 2.991883 1.193848
C 0.856748 2.442880 -1.965200
C -1.752406 -1.737020 -0.798809
C -3.545844 -0.353423 0.126234
C 3.844156 -0.369215 1.595618
C -2.438617 -2.900316 -0.388868
C -4.233593 -1.516181 0.535468
C -3.677938 -2.792167 0.283965
C 4.348742 -1.168686 0.360707
C 3.806207 -0.594388 -0.879530
H 0.021355 -0.391660 0.934115
H 0.862109 -0.061144 -0.607227
H -2.285845 1.601456 -1.267212
H -0.974878 0.572168 -1.918180
H -1.773365 0.920826 1.658531
H -0.491522 2.105510 2.024588
H -0.767929 3.382912 -0.870114
H 0.708265 3.154350 0.101220
H 2.434199 1.466721 0.465001
H 1.470048 1.538017 1.985719
H -3.068521 2.824643 0.430057
H -1.815033 3.968234 1.006588
H -2.809419 3.070346 2.165700
H 0.206978 2.165667 -2.811769
H 1.655381 1.687746 -1.875850
H 1.342992 3.395393 -2.243186
H -0.807283 -1.835174 -1.347120
H -4.004053 0.628606 0.297433
H 4.273423 0.650737 1.604304
H 4.151570 -0.895340 2.513937
H -2.017353 -3.887018 -0.605878
H -5.204180 -1.429365 1.034159
H -4.214195 -3.694680 0.594408
H 4.016602 -2.219597 0.440330
H 5.454667 -1.167382 0.333971


