%chk=000168697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168697

0 1
 O    3.039600      0.3100000      2.3499999E-02
 O   -3.039700     -0.3109000      1.5300000E-02
 N    9.191600     -0.2495000     -4.7100000E-02
 N   -9.191600      0.2510000     -4.0700000E-02
 C   0.6470000      0.4028000      4.6799999E-02
 C  -0.6468000     -0.4037000      3.2900002E-02
 C    1.872200     -0.4998000      2.4000000E-02
 C   -1.872000      0.4991000      1.2400000E-02
 C    5.446700      0.4271000      2.6000000E-03
 C   -5.446800     -0.4271000      3.9999999E-04
 C    4.222100     -0.4784000      2.6000000E-03
 C   -4.221900      0.4780000     -3.3000000E-03
 C    6.743800     -0.3788000     -3.9999999E-02
 C   -6.743800      0.3793000     -3.9700001E-02
 C    7.965200      0.5378000      3.1999999E-03
 C   -7.965400     -0.5368000      7.1999999E-03
 H   0.6812000       1.080100     -0.8158000    
 H   0.6847000       1.046200      0.9347000    
 H  -0.6932000      -1.061500      0.9098000    
 H  -0.6725000      -1.066900     -0.8409000    
 H    1.875800      -1.149700      0.9070000    
 H    1.860400      -1.126100     -0.8758000    
 H   -1.861700       1.125700     -0.8871000    
 H   -1.874300       1.148500      0.8958000    
 H    5.423300       1.064900      0.8951000    
 H    5.394800       1.109300     -0.8552000    
 H   -5.421500      -1.064200      0.8933000    
 H   -5.397300      -1.109800     -0.8570000    
 H    4.224200      -1.106100     -0.8966000    
 H    4.241300      -1.130000      0.8842000    
 H   -4.226100       1.105100     -0.9027000    
 H   -4.238800       1.130100      0.8781000    
 H    6.766500     -0.9869000     -0.9532000    
 H    6.770600      -1.072300      0.8101000    
 H   -6.768400      0.9867000     -0.9533000    
 H   -6.768300       1.073500      0.8099000    
 H    7.948900       1.227400     -0.8475000    
 H    7.956800       1.137900      0.9197000    
 H   -7.951400      -1.227100     -0.8431000    
 H   -7.955000      -1.136200      0.9241000    
 H    9.995400      0.3716000      3.4899998E-02
 H    9.231200     -0.8754000      0.7564000    
 H   -9.995500     -0.3697000      4.3499999E-02
 H   -9.228900      0.8773000      0.7624000    


%chk=000168697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168697

0 1
O 3.092534 0.242918 0.018503
O -3.092427 -0.242774 0.018530
N 9.339832 -0.188826 0.014578
N -9.339728 0.188926 0.015575
C 0.673139 0.379800 0.016569
C -0.673033 -0.379647 0.016642
C 1.872846 -0.572442 0.013846
C -1.872742 0.572594 0.014301
C 5.514617 0.380362 0.013114
C -5.514509 -0.380230 0.013234
C 4.314415 -0.570957 0.008935
C -4.314313 0.571100 0.009510
C 6.862402 -0.375163 0.011918
C -6.862300 0.375288 0.012686
C 8.076048 0.576562 0.010668
C -8.075937 -0.576447 0.010963
H 0.744668 1.037624 -0.871422
H 0.746237 1.034797 0.906555
H -0.745926 -1.034810 0.906520
H -0.744768 -1.037305 -0.871456
H 1.851950 -1.233021 0.911373
H 1.853549 -1.225437 -0.889140
H -1.853392 1.225988 -0.888396
H -1.851905 1.232774 0.912121
H 5.441901 1.036091 0.902731
H 5.446815 1.038628 -0.874792
H -5.441676 -1.036516 0.902431
H -5.446817 -1.037937 -0.875094
H 4.331258 -1.221187 -0.895953
H 4.335848 -1.234492 0.904557
H -4.331223 1.221845 -0.895005
H -4.335687 1.234123 0.905512
H 6.940471 -1.034912 -0.873891
H 6.918616 -1.034379 0.905012
H -6.940477 1.035616 -0.872682
H -6.918413 1.033920 0.906217
H 8.050399 1.187962 -0.912156
H 7.972238 1.287359 0.868580
H -8.050417 -1.187223 -0.912278
H -7.971993 -1.287823 0.868378
H 10.177562 0.372091 -0.167670
H 9.455203 -0.788452 0.838398
H -10.177478 -0.371872 -0.166944
H -9.454990 0.787986 0.839822


