%chk=000117790.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117790

0 1
 O    1.392700      -2.486400      0.4627000    
 O   -4.702800     -0.3172000     -0.2957000    
 N    1.918000      0.2772000      0.5055000    
 N   -2.818800       1.083600     -7.9899997E-02
 N    5.108300      0.8489000      -1.260800    
 C   0.6065000     -0.2227000      0.3493000    
 C   0.3685000      -1.596900      0.3313000    
 C  -0.4557000      0.6710000      0.2123000    
 C   -1.755900      0.1903000      5.7200000E-02
 C    2.216700       1.674700      0.5307000    
 C  -0.9317000      -2.077600      0.1762000    
 C   -1.993900      -1.184000      3.9099999E-02
 C    3.714000       1.907600      0.7030000    
 C   -4.179300      0.7911000     -0.2438000    
 C    2.032500      -2.919000     -0.7362000    
 C   -5.011200       2.044000     -0.3555000    
 C    4.492200       1.315400     -0.3952000    
 H  -0.3036000       1.746700      0.2231000    
 H    2.653400     -0.4037000      0.6603000    
 H    1.698700       2.163400       1.364800    
 H    1.891800       2.152600     -0.4023000    
 H   -1.123500      -3.147300      0.1620000    
 H   -2.971200      -1.631200     -7.6899998E-02
 H    3.909000       2.985000      0.7496000    
 H    4.049900       1.479400       1.655100    
 H   -2.564300       2.068900     -5.6899998E-02
 H    2.454300      -2.068700      -1.281400    
 H    1.324700      -3.459000      -1.373200    
 H    2.845700      -3.597500     -0.4644000    
 H   -4.923000       2.629100      0.5641000    
 H   -6.061100       1.779500     -0.5095000    
 H   -4.668600       2.642600      -1.204200    


%chk=000117790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117790

0 1
O 1.787169 -2.126745 -0.149775
O -4.676790 -0.362055 -0.368526
N 1.997784 0.476024 0.275730
N -2.861783 1.092483 -0.030209
N 5.537508 1.196574 -0.935431
C 0.706919 -0.019211 0.087329
C 0.558378 -1.429915 -0.128779
C -0.458080 0.781528 0.104465
C -1.746443 0.198985 -0.066680
C 2.296751 1.894544 0.404973
C -0.713064 -1.996362 -0.301057
C -1.880326 -1.193165 -0.267773
C 3.768286 2.115136 0.838391
C -4.217798 0.803974 -0.176466
C 1.739397 -3.563195 -0.418358
C -5.139535 2.021374 -0.087566
C 4.746297 1.608571 -0.142881
H -0.370639 1.865920 0.241800
H 2.756040 -0.184364 0.090209
H 1.653597 2.345250 1.188482
H 2.103349 2.453680 -0.538138
H -0.822340 -3.072939 -0.463674
H -2.871023 -1.628292 -0.399587
H 3.946660 3.196114 0.986462
H 3.947583 1.612782 1.807694
H -2.626935 2.075471 0.120570
H 1.281812 -3.768646 -1.405468
H 1.175308 -4.097236 0.370720
H 2.787754 -3.896183 -0.416911
H -5.868394 1.859242 0.725202
H -5.712552 2.105357 -1.027210
H -4.612586 2.975098 0.092863


